UCSF

ZINC19637324

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 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) 1.43 2.49 -36.76 2 3 1 23 214.377 6
Hi High (pH 8-9.5) 1.43 3.53 -33.8 2 3 1 20 214.377 6
Mid Mid (pH 6-8) 1.43 4.94 -110.32 3 3 2 24 215.385 6
Mid Mid (pH 6-8) 1.43 4.72 -101.85 3 3 2 24 215.385 6
Lo Low (pH 4.5-6) 1.43 7.18 -191.36 4 3 3 25 216.393 6

Activity (Go SEA)

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