UCSF

ZINC37794955

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.96 5.61 -55.12 1 6 -1 96 258.294 8
Lo Low (pH 4.5-6) 0.96 3.21 -7 2 6 0 93 259.302 8

Activity (Go SEA)

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