UCSF

ZINC42259638

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 2.77 7.13 -55.75 3 4 1 62 300.407 4
Mid Mid (pH 6-8) 3.22 4.5 -47.4 2 4 0 65 299.399 4

Activity (Go SEA)

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