UCSF

ZINC69810647

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 18 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) 1.65 4.79 -37.46 2 4 1 33 253.345 4
Hi High (pH 8-9.5) 1.65 2.42 -6.48 1 4 0 31 252.337 4
Lo Low (pH 4.5-6) 1.65 5.27 -77.9 3 4 2 34 254.353 4

Activity (Go SEA)

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