UCSF

ZINC19365160

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 25 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) 2.95 7.5 -43.45 1 5 1 35 341.431 5
Mid Mid (pH 6-8) 2.95 7.5 -44.51 1 5 1 35 341.431 5
Mid Mid (pH 6-8) 2.95 5.18 -8.24 0 5 0 34 340.423 5

Activity (Go SEA)

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