UCSF

ZINC20358375

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 28 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) 4.23 8.92 -49.23 2 6 1 73 384.452 7
Mid Mid (pH 6-8) 4.23 9.72 -37.42 1 6 0 76 383.444 7

Activity (Go SEA)

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