UCSF

ZINC01073844

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 29 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) 4.02 -1.4 -14.87 3 5 0 81 414.412 4
Lo Low (pH 4.5-6) 4.02 -1.29 -42.55 4 5 1 82 415.42 4
Lo Low (pH 4.5-6) 4.02 -1.29 -40.45 4 5 1 82 415.42 4
Lo Low (pH 4.5-6) 4.02 -1.17 -80.7 5 5 2 83 416.428 4

Activity (Go SEA)

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