UCSF

ZINC37830118

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) 1.14 6.49 -60.96 1 5 -1 81 278.328 7
Lo Low (pH 4.5-6) 1.14 4.56 -16.19 2 5 0 78 279.336 7

Activity (Go SEA)

Rings

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