UCSF

ZINC46518345

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2010 20 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) 3.10 10.32 -50.34 1 2 1 28 273.306 4
Hi High (pH 8-9.5) 3.10 8.01 -8.72 0 2 0 27 272.298 4

Activity (Go SEA)

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