UCSF

ZINC01174917

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 29 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) 4.19 7.54 -10.72 3 5 0 88 382.398 2
Lo Low (pH 4.5-6) 4.19 7.6 -60.93 4 5 1 89 383.406 2

Activity (Go SEA)

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