UCSF

ZINC36769960

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 14 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) 0.88 0.88 -2.47 1 3 0 24 198.31 2
Lo Low (pH 4.5-6) 0.88 3.12 -32.47 2 3 1 26 199.318 2
Lo Low (pH 4.5-6) 0.88 4.45 -109.03 3 3 2 30 200.326 2

Activity (Go SEA)

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