UCSF

ZINC37860234

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 19 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) 1.12 6 -130.41 4 4 2 50 263.385 6
Mid Mid (pH 6-8) 1.12 4.65 -42.35 3 4 1 46 262.377 6

Activity (Go SEA)

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