UCSF

ZINC37874572

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 1.03 -0.48 -6.53 2 5 0 54 266.341 6
Mid Mid (pH 6-8) 1.03 1.83 -40.68 3 5 1 55 267.349 6

Activity (Go SEA)

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