UCSF

ZINC49030902

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 21 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) 2.22 7.99 -46.13 2 4 1 42 286.399 7
Hi High (pH 8-9.5) 2.22 7.12 -6.49 1 4 0 37 285.391 7
Mid Mid (pH 6-8) 2.22 8.45 -93.7 3 4 2 43 287.407 7

Activity (Go SEA)

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