UCSF

ZINC21981330

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 26 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) 4.13 8.51 -45.92 1 4 1 28 390.96 4
Hi High (pH 8-9.5) 4.13 6.04 -13.44 0 4 0 27 389.952 4
Mid Mid (pH 6-8) 4.13 8.37 -50.9 1 4 1 28 390.96 4

Activity (Go SEA)

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