UCSF

ZINC37042465

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.35 4.67 -88.52 4 4 2 50 257.403 3
Mid Mid (pH 6-8) 0.35 3.29 -39.21 3 4 1 46 256.395 3

Activity (Go SEA)

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