UCSF

ZINC37047771

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 1.89 1.46 -53.13 3 7 -1 122 309.323 4
Hi High (pH 8-9.5) 1.89 2.22 -104.71 2 7 -2 125 308.315 4

Activity (Go SEA)

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