UCSF

ZINC37241663

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 13 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 5.2 -30.19 2 2 1 16 183.319 3
Hi High (pH 8-9.5) 2.02 2.89 -0.66 1 2 0 15 182.311 3
Lo Low (pH 4.5-6) 2.02 6.37 -104.88 3 2 2 21 184.327 3
Lo Low (pH 4.5-6) 2.02 4.06 -35.32 2 2 1 20 183.319 3

Activity (Go SEA)

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