UCSF

ZINC37312782

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.27 2.5 -8.61 1 4 0 50 263.337 4
Hi High (pH 8-9.5) 2.27 3.38 -42.33 0 4 -1 53 262.329 4
Lo Low (pH 4.5-6) 2.27 4.77 -43.39 2 4 1 51 264.345 4

Activity (Go SEA)

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