UCSF

ZINC04096972

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 28 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) -5.69 3.81 -215.4 5 13 -3 246 402.336 14
Hi High (pH 8-9.5) -5.69 3.46 -254.47 4 13 -4 245 401.328 14
Lo Low (pH 4.5-6) -5.69 1.79 -157.03 6 13 -2 244 403.344 14

Activity (Go SEA)

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