UCSF

ZINC37851766

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) 0.51 3.58 -102.08 4 4 2 51 234.384 10
Mid Mid (pH 6-8) 0.51 1.11 -41.19 3 4 1 49 233.376 10

Activity (Go SEA)

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