UCSF

ZINC37255808

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.16 5.45 -31.14 2 2 1 16 197.346 2
Lo Low (pH 4.5-6) 2.16 6.66 -107.05 3 2 2 21 198.354 2
Lo Low (pH 4.5-6) 2.16 4.18 -37.02 2 2 1 20 197.346 2

Activity (Go SEA)

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