UCSF

ZINC41722473

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 3.67 7.36 -53.73 0 4 -1 56 301.391 3
Mid Mid (pH 6-8) 3.67 9.58 -76.37 1 4 0 57 302.399 3

Activity (Go SEA)

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