UCSF

ZINC37092657

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.79 7.79 -35.75 3 3 1 40 277.432 7
Mid Mid (pH 6-8) 1.79 8.12 -123.19 4 3 2 41 278.44 7

Activity (Go SEA)

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