UCSF

ZINC07654539

Substance Information

In ZINC since Heavy atoms Benign functionality
June 9th, 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) 3.12 6.75 -16.29 2 7 0 101 375.45 9
Mid Mid (pH 6-8) 3.12 6.15 -21.74 2 7 0 101 375.45 9
Mid Mid (pH 6-8) 3.58 4.83 -49.27 1 7 -1 104 374.442 9

Activity (Go SEA)

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