UCSF

ZINC62951165

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 2.56 7.26 -102.18 4 3 2 45 263.429 4
Hi High (pH 8-9.5) 2.56 6.83 -24.07 3 3 1 43 262.421 4
Hi High (pH 8-9.5) 2.56 6.39 -4.21 2 3 0 42 261.413 4
Mid Mid (pH 6-8) 2.56 6.81 -48.23 3 3 1 44 262.421 4

Activity (Go SEA)

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