UCSF

ZINC35367698

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 1.66 5.31 -36.08 3 5 1 64 263.365 3
Mid Mid (pH 6-8) 1.66 4.84 -10.84 2 5 0 62 262.357 3

Activity (Go SEA)

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