UCSF

ZINC35324365

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 29 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) 2.24 7.65 -14.22 1 8 0 84 393.399 4
Mid Mid (pH 6-8) 2.24 8.1 -50.03 2 8 1 85 394.407 4

Activity (Go SEA)

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