UCSF

ZINC39951963

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 18 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) 2.96 9.31 -70.64 1 4 0 48 313.195 3
Mid Mid (pH 6-8) 2.96 7.09 -44.28 0 4 -1 47 312.187 3

Activity (Go SEA)

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