UCSF

ZINC19361466

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 22 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) 3.93 10.09 -33.53 1 2 1 8 364.282 4
Mid Mid (pH 6-8) 3.93 10.29 -39.93 1 2 1 8 364.282 4
Mid Mid (pH 6-8) 3.93 7.91 -3.94 0 2 0 6 363.274 4

Activity (Go SEA)

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