UCSF

ZINC00153551

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 22 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) 0.84 5.5 -74.56 2 7 -1 111 298.278 4
Lo Low (pH 4.5-6) 0.84 5.31 -72.11 3 7 0 112 299.286 4

Activity (Go SEA)

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