UCSF

ZINC06887357

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2006 26 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) 2.12 3.75 -17.05 3 7 0 112 373.434 4
Mid Mid (pH 6-8) 2.12 4.78 -37.85 2 7 -1 114 372.426 4

Activity (Go SEA)

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