UCSF

ZINC20573738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 27 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) 0.92 5.52 -42.61 4 7 1 91 368.461 4
Ref Reference (pH 7) 0.92 5.54 -42.54 4 7 1 91 368.461 4
Hi High (pH 8-9.5) 0.92 5.02 -15.08 3 7 0 90 367.453 4
Hi High (pH 8-9.5) 0.92 5.11 -15.5 3 7 0 90 367.453 4
Mid Mid (pH 6-8) 0.92 6.19 -58.58 4 7 1 95 368.461 4

Activity (Go SEA)

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