UCSF

ZINC37812167

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 3.04 7.26 -48.78 3 5 1 74 299.435 8
Mid Mid (pH 6-8) 3.04 7.72 -10.2 2 5 0 73 298.427 8

Activity (Go SEA)

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