UCSF

ZINC37043926

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.42 6.07 -48.28 4 3 1 57 320.21 3
Mid Mid (pH 6-8) 1.42 5.74 -10.04 3 3 0 55 319.202 3

Activity (Go SEA)

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