UCSF

ZINC36666949

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 14 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) 3.13 1.68 -6.7 2 3 0 60 294.974 1
Hi High (pH 8-9.5) 3.13 2.16 -35.14 1 3 -1 58 293.966 1

Activity (Go SEA)

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