UCSF

ZINC17059756

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 16 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) 2.70 6.11 -10.62 1 3 0 46 279.137 2
Mid Mid (pH 6-8) 3.16 5.05 -38.59 0 3 -1 49 278.129 2

Activity (Go SEA)

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