UCSF

ZINC54111252

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 20 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) 3.55 6.61 -36.2 2 3 1 26 352.243 8
Hi High (pH 8-9.5) 3.55 4.16 -4.07 1 3 0 24 351.235 8
Mid Mid (pH 6-8) 3.55 5.72 -42.47 2 3 1 29 352.243 8
Mid Mid (pH 6-8) 3.55 7.99 -118.18 3 3 2 30 353.251 8

Activity (Go SEA)

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