UCSF

ZINC40473458

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 18 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) 1.42 6.58 -40.34 1 5 1 49 254.306 7
Mid Mid (pH 6-8) 1.42 4.33 -10.1 0 5 0 48 253.298 7

Activity (Go SEA)

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