UCSF

ZINC34668986

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 29 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) 3.81 11.6 -46.97 2 4 1 46 406.575 7
Mid Mid (pH 6-8) 3.81 9.36 -8.9 1 4 0 45 405.567 7

Activity (Go SEA)

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