UCSF

ZINC40007763

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 23 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) 3.35 6.56 -7.65 1 4 0 42 318.461 7
Mid Mid (pH 6-8) 3.35 8.59 -43 2 4 1 43 319.469 7

Activity (Go SEA)

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