UCSF

ZINC37140837

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 2.39 8.98 -76.25 3 3 2 21 281.488 5
Mid Mid (pH 6-8) 2.39 7.84 -96.03 3 3 2 24 281.488 5
Lo Low (pH 4.5-6) 2.39 10.04 -172.63 4 3 3 25 282.496 5

Activity (Go SEA)

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