UCSF

ZINC37284429

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) 3.84 8.9 -36.77 2 2 1 26 327.286 5
Hi High (pH 8-9.5) 3.84 7.98 -2.11 1 2 0 21 326.278 5

Activity (Go SEA)

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