UCSF

ZINC40405624

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 24 No

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 -3.34 -12.8 3 10 0 149 326.32 6
Mid Mid (pH 6-8) 3.08 -2.53 -46.56 2 10 -1 152 325.312 6

Activity (Go SEA)

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