UCSF

ZINC08701452

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 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) 2.45 4.2 -7.23 3 4 0 64 217.272 3
Mid Mid (pH 6-8) 2.45 4.36 -27.24 4 4 1 65 218.28 3

Activity (Go SEA)

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