UCSF

ZINC00088690

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) 1.76 -1.39 -10.59 1 5 0 63 255.306 3
Lo Low (pH 4.5-6) 1.76 -1.29 -38.82 2 5 1 64 256.314 3

Activity (Go SEA)

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