UCSF

ZINC03605647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 25 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) 3.52 -5.34 -14.54 5 6 0 106 351.435 5
Lo Low (pH 4.5-6) 3.52 -5.11 -41.81 6 6 1 108 352.443 5
Lo Low (pH 4.5-6) 3.52 -4.95 -109.82 7 6 2 109 353.451 5

Activity (Go SEA)

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