UCSF

ZINC34685391

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 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) 3.57 7.77 -10.78 1 5 0 48 392.528 5
Mid Mid (pH 6-8) 3.57 9.97 -51.48 2 5 1 50 393.536 5

Activity (Go SEA)

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