UCSF

ZINC37039317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 14 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) -0.84 0.94 -49.34 3 5 1 60 202.278 3
Mid Mid (pH 6-8) -0.84 2.74 -122.98 4 5 2 62 203.286 3
Mid Mid (pH 6-8) -0.84 2.35 -39.11 3 5 1 60 202.278 3

Activity (Go SEA)

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