UCSF

ZINC00595551

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 26 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 -2.06 -11.51 2 5 0 73 360.442 4
Lo Low (pH 4.5-6) 3.58 -1.67 -173.84 5 5 3 77 363.466 4
Lo Low (pH 4.5-6) 3.58 -1.8 -95.09 4 5 2 76 362.458 4
Lo Low (pH 4.5-6) 3.58 -1.79 -88.02 4 5 2 76 362.458 4
Lo Low (pH 4.5-6) 3.58 -1.93 -32.43 3 5 1 75 361.45 4
Lo Low (pH 4.5-6) 3.58 -1.8 -83.29 4 5 2 76 362.458 4
Lo Low (pH 4.5-6) 3.58 -1.94 -38.29 3 5 1 75 361.45 4
Lo Low (pH 4.5-6) 3.58 -1.93 -33.98 3 5 1 75 361.45 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )