UCSF

ZINC46082841

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.70 8 -53.46 1 6 1 48 349.43 3
Mid Mid (pH 6-8) 0.70 5.84 -13.9 0 6 0 47 348.422 3

Activity (Go SEA)

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