UCSF

ZINC35497976

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 19 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) 5.56 9.96 -37.8 2 1 1 17 312.911 3
Mid Mid (pH 6-8) 5.56 8.63 -3.14 1 1 0 12 311.903 3

Activity (Go SEA)

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