UCSF

ZINC43969043

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 17 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) 2.84 4.4 -35.37 2 3 1 29 243.415 5
Hi High (pH 8-9.5) 2.84 3.39 -0.55 1 3 0 24 242.407 5
Hi High (pH 8-9.5) 2.84 5.06 -29.07 2 3 1 26 243.415 5

Activity (Go SEA)

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