UCSF

ZINC42562474

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 0.11 3.07 -58 2 6 -1 98 257.31 6
Lo Low (pH 4.5-6) 0.11 1.22 -13.8 3 6 0 95 258.318 6

Activity (Go SEA)

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