UCSF

ZINC36876566

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 2.61 6.55 -40.98 3 3 1 45 264.299 2
Hi High (pH 8-9.5) 2.61 5.14 -6.77 2 3 0 41 263.291 2
Lo Low (pH 4.5-6) 2.61 7.04 -120.17 4 3 2 47 265.307 2

Activity (Go SEA)

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