UCSF

ZINC36829074

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) -0.02 1.95 -17.44 1 6 0 94 269.326 5
Hi High (pH 8-9.5) 0.43 -0.1 -49.62 0 6 -1 97 268.318 5

Activity (Go SEA)

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