UCSF

ZINC34578129

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 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) 3.18 6.33 -38.91 3 4 1 54 328.432 6
Mid Mid (pH 6-8) 3.18 4.12 -5.98 2 4 0 53 327.424 6

Activity (Go SEA)

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