UCSF

ZINC37798208

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.56 5.73 -43.2 3 4 1 57 279.404 8
Mid Mid (pH 6-8) 1.56 5.44 -7.18 2 4 0 56 278.396 8

Activity (Go SEA)

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