UCSF

ZINC37797034

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.18 -0.28 -47.88 2 6 -1 94 287.324 3
Lo Low (pH 4.5-6) 1.18 -1.01 -12.17 3 6 0 91 288.332 3

Activity (Go SEA)

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