UCSF

ZINC04249115

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 21 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) 1.66 4.59 -17.34 1 6 0 67 324.431 4
Mid Mid (pH 6-8) 1.66 4.62 -58.74 0 6 -1 69 323.423 4
Lo Low (pH 4.5-6) 1.66 4.95 -38.81 2 6 1 68 325.439 4

Activity (Go SEA)

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