UCSF

ZINC34976029

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 12 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) 2.03 2.33 -7.06 2 3 0 52 166.224 1
Lo Low (pH 4.5-6) 2.03 2.26 -24.84 3 3 1 53 167.232 1

Activity (Go SEA)

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