UCSF

ZINC42561704

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 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) 0.73 3.57 -42.53 3 5 1 79 248.306 6
Hi High (pH 8-9.5) 0.73 2.39 -15.34 2 5 0 74 247.298 6

Activity (Go SEA)

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