UCSF

ZINC01117181

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 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) 5.00 15.59 -10.22 1 7 0 66 374.876 5
Lo Low (pH 4.5-6) 5.00 16.01 -22.46 2 7 1 68 375.884 5

Activity (Go SEA)

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