UCSF

ZINC36804876

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 1.01 5.73 -31.87 2 4 1 34 259.324 6
Hi High (pH 8-9.5) 1.01 3.95 -6.27 1 4 0 33 258.316 6
Lo Low (pH 4.5-6) 1.01 7.06 -108.44 3 4 2 39 260.332 6
Lo Low (pH 4.5-6) 1.01 6.07 -84.76 3 4 2 36 260.332 6

Activity (Go SEA)

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