UCSF

ZINC31945431

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 3.06 7.25 -49.7 4 4 1 60 306.455 5
Hi High (pH 8-9.5) 3.06 5.58 -25.79 3 4 0 58 305.447 5

Activity (Go SEA)

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