UCSF

ZINC02255590

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2005 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) 2.28 -1.44 -8.85 2 7 0 86 293.371 7
Mid Mid (pH 6-8) -1.76 -1.19 -37.59 3 7 1 89 294.379 6

Activity (Go SEA)

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