UCSF

ZINC20992352

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 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) 3.16 7.27 -46.08 2 6 1 63 421.565 8
Mid Mid (pH 6-8) 3.16 7.27 -44.3 2 6 1 63 421.565 8
Mid Mid (pH 6-8) 3.16 4.89 -8.05 1 6 0 62 420.557 8

Activity (Go SEA)

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