UCSF

ZINC16097061

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2008 27 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) 3.59 4.31 -15.14 2 6 0 92 406.46 6
Hi High (pH 8-9.5) 3.59 4.39 -46 1 6 -1 94 405.452 6
Hi High (pH 8-9.5) 3.59 4.42 -47.04 1 6 -1 94 405.452 6
Hi High (pH 8-9.5) 3.59 4.5 -98.74 0 6 -2 96 404.444 6

Activity (Go SEA)

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