UCSF

ZINC34537305

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 No

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) 0.80 1.26 -102.07 5 6 2 73 347.544 6
Mid Mid (pH 6-8) 0.80 -0.98 -30.15 4 6 1 72 346.536 6

Activity (Go SEA)

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