UCSF

ZINC37039183

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.07 1.03 -51.23 3 6 1 71 305.468 5
Mid Mid (pH 6-8) 0.07 2.88 -123.32 4 6 2 73 306.476 5

Activity (Go SEA)

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