UCSF

ZINC20075743

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 14 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) 0.78 2.13 -30.44 4 3 1 55 190.27 2
Hi High (pH 8-9.5) 0.78 2.21 -5.43 3 3 0 53 189.262 2

Activity (Go SEA)

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