UCSF

ZINC08845616

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 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) 2.08 2.87 -14.7 3 7 0 99 351.362 3
Mid Mid (pH 6-8) 2.08 3.63 -53.15 2 7 -1 102 350.354 3

Activity (Go SEA)

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