UCSF

ZINC58311029

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 25 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) 2.23 8.27 -14.14 0 6 0 57 337.379 4
Mid Mid (pH 6-8) 2.23 9.09 -35.48 1 6 1 58 338.387 4

Activity (Go SEA)

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