UCSF

ZINC37793409

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 2.13 5.95 -48.96 2 6 -1 98 309.729 5
Lo Low (pH 4.5-6) 2.13 3.95 -12.39 3 6 0 95 310.737 5

Activity (Go SEA)

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