UCSF

ZINC31900521

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 3.94 7.9 -12.28 1 3 0 32 334.806 1
Mid Mid (pH 6-8) 3.94 9.18 -55.12 2 3 1 37 335.814 1

Activity (Go SEA)

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