UCSF

ZINC42826830

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 0.77 -0.75 -10.43 2 6 0 88 292.382 4
Mid Mid (pH 6-8) 1.23 -3.04 -42.41 1 6 -1 91 291.374 4

Activity (Go SEA)

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