UCSF

ZINC45733541

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 26 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) 1.26 7.37 -35.95 1 7 1 69 357.434 4
Mid Mid (pH 6-8) 1.26 6.97 -12.27 0 7 0 68 356.426 4

Activity (Go SEA)

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