UCSF

ZINC39974986

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 20 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) 2.40 4.54 -7.95 0 4 0 41 300.399 4
Mid Mid (pH 6-8) 2.40 6.46 -44.98 1 4 1 42 301.407 4

Activity (Go SEA)

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