UCSF

ZINC40899496

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 33 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) 4.02 12.93 -57.31 2 6 1 61 447.555 9
Mid Mid (pH 6-8) 4.02 10.67 -18.02 1 6 0 60 446.547 9

Activity (Go SEA)

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