UCSF

ZINC37828129

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.56 5.18 -49.68 0 6 -1 77 277.3 4
Mid Mid (pH 6-8) 0.56 7.39 -72.9 1 6 0 78 278.308 4
Lo Low (pH 4.5-6) 0.56 5.4 -47.99 2 6 1 75 279.316 4

Activity (Go SEA)

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