UCSF

ZINC19874991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 26 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) 2.43 5.91 -44.95 2 6 1 55 374.486 6
Hi High (pH 8-9.5) 2.43 3.65 -11.92 1 6 0 54 373.478 6

Activity (Go SEA)

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