UCSF

ZINC35500850

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 4.07 8.1 -38.21 2 3 1 35 369.304 3
Mid Mid (pH 6-8) 4.07 6.61 -5.55 1 3 0 30 368.296 3

Activity (Go SEA)

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