UCSF

ZINC34679107

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 31 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) 3.28 14.86 -15.41 0 7 0 62 423.561 6
Lo Low (pH 4.5-6) 3.28 15.2 -33.85 1 7 1 63 424.569 6
Lo Low (pH 4.5-6) 3.28 15.18 -39.01 1 7 1 63 424.569 6

Activity (Go SEA)

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