UCSF

ZINC34578180

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 31 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) 5.74 15.33 -40.71 1 4 1 34 421.605 8
Mid Mid (pH 6-8) 5.74 13.12 -8.55 0 4 0 33 420.597 8

Activity (Go SEA)

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