UCSF

ZINC26511820

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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) 3.55 8.29 -9.74 2 3 0 44 267.307 2
Mid Mid (pH 6-8) 3.55 8.41 -32.2 3 3 1 45 268.315 2

Activity (Go SEA)

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