UCSF

ZINC39964115

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 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) 3.48 12.06 -15.87 1 7 0 76 430.386 6
Mid Mid (pH 6-8) 3.48 12.53 -37.81 2 7 1 78 431.394 6

Activity (Go SEA)

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