UCSF

ZINC37801705

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 2.11 4.98 -57.55 3 4 1 61 290.412 3
Mid Mid (pH 6-8) 2.11 4.83 -14.79 2 4 0 59 289.404 3

Activity (Go SEA)

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