UCSF

ZINC34684741

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 3.98 11.49 -50.41 2 5 1 50 390.507 6
Mid Mid (pH 6-8) 3.98 9.29 -8.62 1 5 0 49 389.499 6

Activity (Go SEA)

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