UCSF

ZINC52277414

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 1.82 4.68 -46.33 3 4 1 70 247.318 6
Hi High (pH 8-9.5) 1.82 3.33 -11.55 2 4 0 65 246.31 6

Activity (Go SEA)

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