UCSF

ZINC36471088

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 31 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) -2.78 -1.86 -395.22 1 18 -4 285 503.15 9
Lo Low (pH 4.5-6) -2.78 -4.42 -125.38 3 18 -2 279 505.166 9
Lo Low (pH 4.5-6) -2.78 -3.02 -254.34 2 18 -3 282 504.158 9

Activity (Go SEA)

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