UCSF

ZINC33010392

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 25 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) 1.65 6.3 -69.75 2 7 0 90 342.399 4
Hi High (pH 8-9.5) 1.65 3.99 -50.75 1 7 -1 89 341.391 4
Mid Mid (pH 6-8) 1.65 6.56 -98.45 3 7 1 91 343.407 4
Mid Mid (pH 6-8) 1.65 4.25 -43.59 2 7 0 90 342.399 4

Activity (Go SEA)

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