UCSF

ZINC00105366

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 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) 1.00 -2.78 -11.7 2 7 0 88 251.29 6
Lo Low (pH 4.5-6) 1.00 -2.6 -30.53 3 7 1 89 252.298 6
Lo Low (pH 4.5-6) 1.00 -2.63 -35.34 3 7 1 89 252.298 6

Activity (Go SEA)

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