UCSF

ZINC36996548

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 2.02 6.61 -31.78 2 3 1 30 235.351 3
Hi High (pH 8-9.5) 2.02 4.35 -4.34 1 3 0 28 234.343 3
Lo Low (pH 4.5-6) 2.02 7.88 -108.22 3 3 2 34 236.359 3

Activity (Go SEA)

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