UCSF

ZINC29656148

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 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) 4.22 7.78 -12.34 1 6 0 54 383.492 8
Mid Mid (pH 6-8) 4.22 10.1 -47.42 2 6 1 55 384.5 8

Activity (Go SEA)

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