UCSF

ZINC37786534

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) 1.58 7.06 -34.44 2 4 1 34 291.463 3
Lo Low (pH 4.5-6) 1.58 8.06 -106.6 3 4 2 39 292.471 3
Lo Low (pH 4.5-6) 1.58 5.93 -39.12 2 4 1 38 291.463 3

Activity (Go SEA)

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