UCSF

ZINC41227190

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 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) 0.75 6.22 -75.89 3 3 2 21 215.385 8
Hi High (pH 8-9.5) 0.75 2.62 -38.71 2 3 1 23 214.377 8
Mid Mid (pH 6-8) 0.75 5.07 -101.54 3 3 2 24 215.385 8
Mid Mid (pH 6-8) 0.75 7.55 -175.35 4 3 3 25 216.393 8

Activity (Go SEA)

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