UCSF

ZINC20998419

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 22 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) 2.72 6.95 -38.87 1 4 1 26 305.442 5
Hi High (pH 8-9.5) 2.72 4.57 -5.23 0 4 0 25 304.434 5
Lo Low (pH 4.5-6) 2.71 9.18 -104.21 2 4 2 27 306.45 5
Lo Low (pH 4.5-6) 2.71 6.95 -35.51 1 4 1 26 305.442 5

Activity (Go SEA)

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