UCSF

ZINC21963954

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 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) 1.22 2.29 -36.73 2 3 1 23 214.377 5
Hi High (pH 8-9.5) 1.22 3.18 -32.31 2 3 1 20 214.377 5
Mid Mid (pH 6-8) 1.22 4.49 -99.75 3 3 2 24 215.385 5
Mid Mid (pH 6-8) 1.22 4.76 -110.27 3 3 2 24 215.385 5
Lo Low (pH 4.5-6) 1.22 6.96 -189.6 4 3 3 25 216.393 5

Activity (Go SEA)

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