UCSF

ZINC34684122

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 2.10 7.17 -45.12 2 6 1 59 384.5 7
Mid Mid (pH 6-8) 2.10 7.14 -42.41 2 6 1 59 384.5 7
Mid Mid (pH 6-8) 2.10 4.89 -8.44 1 6 0 58 383.492 7

Activity (Go SEA)

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