UCSF

ZINC40484966

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 23 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) 1.56 6.18 -43.1 2 6 1 63 335.453 5
Mid Mid (pH 6-8) 1.56 3.89 -15.19 1 6 0 62 334.445 5
Mid Mid (pH 6-8) 1.56 6.07 -45.75 2 6 1 63 335.453 5

Activity (Go SEA)

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