UCSF

ZINC37032949

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.82 3 -48.56 4 6 1 82 293.391 5
Hi High (pH 8-9.5) 0.82 2.68 -9.53 3 6 0 80 292.383 5
Mid Mid (pH 6-8) 0.82 3.35 -94.98 5 6 2 83 294.399 5

Activity (Go SEA)

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