UCSF

ZINC23391386

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 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) 0.98 1.84 -12.93 1 6 0 82 293.366 7
Hi High (pH 8-9.5) 0.98 1.46 -50.29 0 6 -1 84 292.358 7

Activity (Go SEA)

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