UCSF

ZINC42255524

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 20 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) 3.38 8.76 -26.93 2 3 1 39 268.315 3
Mid Mid (pH 6-8) 3.38 8.66 -12.74 1 3 0 38 267.307 3

Activity (Go SEA)

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