UCSF

ZINC36996938

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.99 5.92 -43.25 2 4 1 38 289.399 3
Lo Low (pH 4.5-6) 2.99 8.17 -118.52 3 4 2 40 290.407 3

Activity (Go SEA)

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