UCSF

ZINC34972051

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 1.26 5.54 -42.16 3 2 1 37 271.178 3
Hi High (pH 8-9.5) 1.26 5.22 -3.1 2 2 0 35 270.17 3

Activity (Go SEA)

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