UCSF

ZINC37821165

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 1.01 1.28 -57.4 5 5 1 91 268.381 3
Mid Mid (pH 6-8) 1.01 1.43 -13.34 4 5 0 89 267.373 3

Activity (Go SEA)

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