UCSF

ZINC09009631

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 22 No

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) 3.17 9.46 -7.72 1 4 0 54 376.279 3
Ref Reference (pH 7) 3.17 9.82 -8.89 1 4 0 54 376.279 3
Mid Mid (pH 6-8) 3.17 8.72 -40.33 0 4 -1 56 375.271 4
Lo Low (pH 4.5-6) 3.17 9.31 -30.76 2 4 1 56 377.287 3
Lo Low (pH 4.5-6) 3.17 8.9 -31.04 2 4 1 56 377.287 3

Activity (Go SEA)

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