UCSF

ZINC01283358

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 22 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) 2.87 8.98 -8.76 2 5 0 63 292.342 2
Hi High (pH 8-9.5) 3.05 9.5 -30.08 3 5 1 68 293.35 2
Lo Low (pH 4.5-6) 2.87 9.49 -33.54 3 5 1 64 293.35 2

Activity (Go SEA)

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