UCSF

ZINC31907605

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 0.98 2.44 -17.18 1 7 0 90 279.296 5
Mid Mid (pH 6-8) 0.98 4.79 -57.51 2 7 1 91 280.304 5

Activity (Go SEA)

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