UCSF

ZINC34570037

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 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) 1.77 3.47 -11.45 2 6 0 77 304.346 5
Hi High (pH 8-9.5) 1.95 0.81 -41.88 1 6 -1 83 303.338 5

Activity (Go SEA)

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