UCSF

ZINC44232679

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 13 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) -0.16 1.28 -52.65 4 2 1 48 204.652 3
Hi High (pH 8-9.5) -0.16 0.97 -5.48 3 2 0 46 203.644 3

Activity (Go SEA)

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