UCSF

ZINC07915530

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2006 21 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) 3.56 9.26 -45.96 2 3 1 34 348.264 6
Mid Mid (pH 6-8) 3.56 7.01 -8.72 1 3 0 32 347.256 6

Activity (Go SEA)

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