UCSF

ZINC27742866

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 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) 3.19 7.98 -33.57 1 2 1 8 253.797 4
Hi High (pH 8-9.5) 3.19 5.52 -3.13 0 2 0 6 252.789 4
Mid Mid (pH 6-8) 3.19 7.84 -34.97 1 2 1 8 253.797 4

Activity (Go SEA)

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