UCSF

ZINC42681444

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 19 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) 0.57 3.74 -64.09 3 5 1 68 268.381 1
Mid Mid (pH 6-8) 0.57 3.5 -8.36 2 5 0 67 267.373 1

Activity (Go SEA)

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