UCSF

ZINC42457314

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 0.36 4.03 -36.09 3 3 1 40 205.347 7
Mid Mid (pH 6-8) 0.36 1.95 -7.05 2 3 0 38 204.339 7

Activity (Go SEA)

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