UCSF

ZINC00352269

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 23 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) -1.20 -3.6 -32.94 3 7 0 111 314.345 8
Lo Low (pH 4.5-6) -1.20 -3.49 -74.97 4 7 1 112 315.353 8
Lo Low (pH 4.5-6) -1.20 -3.49 -67.05 4 7 1 112 315.353 8
Lo Low (pH 4.5-6) -1.20 -3.38 -120.8 5 7 2 114 316.361 8

Activity (Go SEA)

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