UCSF

ZINC44233511

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) -0.39 1.27 -51.11 4 2 1 48 184.234 3
Hi High (pH 8-9.5) -0.39 0.96 -4.8 3 2 0 46 183.226 3

Activity (Go SEA)

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