UCSF

ZINC20432991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 4.53 6.04 -10.75 1 2 0 33 259.374 1
Hi High (pH 8-9.5) 4.53 6.83 -50.39 0 2 -1 36 258.366 1
Lo Low (pH 4.5-6) 4.53 6.43 -25.88 2 2 1 34 260.382 1

Activity (Go SEA)

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