UCSF

ZINC20889947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 28 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) 3.77 8.03 -55.53 3 6 1 58 383.516 8
Mid Mid (pH 6-8) 3.77 5.72 -15.49 2 6 0 57 382.508 8

Activity (Go SEA)

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