UCSF

ZINC39964035

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 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) 3.98 14.98 -14.08 1 7 0 76 440.503 7
Mid Mid (pH 6-8) 3.98 15.44 -37.3 2 7 1 78 441.511 7

Activity (Go SEA)

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