UCSF

ZINC26511324

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 11 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) 1.95 3.27 -29.55 4 3 1 56 154.237 3
Mid Mid (pH 6-8) 1.95 3.16 -7.91 3 3 0 55 153.229 3

Activity (Go SEA)

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