UCSF

ZINC20484749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 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) 3.08 5.22 -44.84 3 3 1 44 253.41 9
Mid Mid (pH 6-8) 3.08 7.53 -115.13 4 3 2 45 254.418 9
Mid Mid (pH 6-8) 3.08 7.44 -29 3 3 1 44 253.41 9

Activity (Go SEA)

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