UCSF

ZINC37144752

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 18 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) 1.75 7.86 -48.53 3 4 1 54 262.358 6
Mid Mid (pH 6-8) 1.75 7.35 -20.4 2 4 0 53 261.35 6

Activity (Go SEA)

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