UCSF

ZINC35234426

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) -1.18 1.65 -46.7 4 6 0 109 223.232 4
Mid Mid (pH 6-8) -1.18 1.33 -50.38 3 6 -1 108 222.224 4

Activity (Go SEA)

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