UCSF

ZINC37140419

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 2.02 3.44 -46.26 4 4 1 63 341.273 5
Hi High (pH 8-9.5) 2.02 2.48 -9.19 3 4 0 58 340.265 5
Mid Mid (pH 6-8) 2.02 4.69 -41.5 4 4 1 60 341.273 5

Activity (Go SEA)

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