UCSF

ZINC36874072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 2.11 6.04 -37.3 3 3 1 45 250.272 2
Hi High (pH 8-9.5) 2.11 4.25 -4.72 2 3 0 41 249.264 2
Lo Low (pH 4.5-6) 2.11 6.47 -110.27 4 3 2 47 251.28 2

Activity (Go SEA)

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