UCSF

ZINC19502305

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 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) 0.35 4.96 -83.29 5 4 2 59 248.374 4
Mid Mid (pH 6-8) 0.35 4.9 -99.21 5 4 2 59 248.374 4
Mid Mid (pH 6-8) 0.35 2.58 -29.41 4 4 1 58 247.366 4

Activity (Go SEA)

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