UCSF

ZINC34976013

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 2.35 3.77 -8.26 2 4 0 61 230.267 3
Lo Low (pH 4.5-6) 2.35 3.7 -24.56 3 4 1 63 231.275 3

Activity (Go SEA)

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