UCSF

ZINC34681089

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 4.22 12.78 -19.32 1 6 0 66 482.506 5
Mid Mid (pH 6-8) 4.22 13.11 -49.48 2 6 1 67 483.514 5

Activity (Go SEA)

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