UCSF

ZINC34676948

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 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) 2.24 10.91 -11.79 0 7 0 62 381.48 3
Mid Mid (pH 6-8) 2.24 11.23 -36.19 1 7 1 63 382.488 3

Activity (Go SEA)

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