UCSF

ZINC06238831

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 27 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) 2.77 8.5 -57.14 0 5 -1 70 368.384 7
Mid Mid (pH 6-8) 2.19 0.67 -12.73 0 5 0 63 369.392 7
Lo Low (pH 4.5-6) 2.77 7.67 -14.34 1 5 0 67 369.392 7

Activity (Go SEA)

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