UCSF

ZINC42582297

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 20 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) 2.11 8.28 -64.1 0 5 -1 70 286.392 9
Lo Low (pH 4.5-6) 2.11 6.09 -14.57 1 5 0 67 287.4 9

Activity (Go SEA)

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