UCSF

ZINC19905685

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 2.69 8.13 -94.78 3 3 2 30 252.402 7
Hi High (pH 8-9.5) 2.69 6.88 -33.95 2 3 1 26 251.394 7

Activity (Go SEA)

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