UCSF

ZINC37383670

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 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) 4.45 6.59 -51.42 0 4 -1 61 382.284 3
Mid Mid (pH 6-8) 4.45 6.54 -11.57 1 4 0 59 383.292 3

Activity (Go SEA)

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