UCSF

ZINC37156086

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 4.39 11.28 -100.41 3 3 2 36 293.499 7
Mid Mid (pH 6-8) 4.39 10.76 -38.08 2 3 1 34 292.491 7

Activity (Go SEA)

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