UCSF

ZINC58265666

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 26 Yes

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) 2.00 11.32 -20.51 0 5 0 51 346.434 4
Mid Mid (pH 6-8) 2.00 11.7 -34.3 1 5 1 52 347.442 4
Lo Low (pH 4.5-6) 2.00 12.15 -75.63 2 5 2 54 348.45 4

Activity (Go SEA)

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