UCSF

ZINC37111950

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 3.00 8.13 -50.37 3 3 1 44 258.389 5
Hi High (pH 8-9.5) 3.00 7.23 -6.15 2 3 0 42 257.381 5
Mid Mid (pH 6-8) 3.00 7.95 -99.35 4 3 2 45 259.397 5

Activity (Go SEA)

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