UCSF

ZINC36731886

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 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) 1.11 1.99 -42.94 4 4 1 60 230.376 9
Mid Mid (pH 6-8) 1.11 3.63 -35.7 4 4 1 60 230.376 9

Activity (Go SEA)

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