UCSF

ZINC34976116

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 2.50 5.63 -24.75 3 3 1 45 194.302 1
Hi High (pH 8-9.5) 2.50 5.5 -6.45 2 3 0 44 193.294 1

Activity (Go SEA)

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