UCSF

ZINC19411232

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 17 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) -0.15 4.96 -59.75 2 5 -1 81 241.311 3
Lo Low (pH 4.5-6) -0.15 2.7 -16.03 3 5 0 78 242.319 3

Activity (Go SEA)

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