UCSF

ZINC34980781

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 2.65 8.69 -36.36 1 4 1 34 291.415 7
Hi High (pH 8-9.5) 2.65 6.44 -10.41 0 4 0 33 290.407 7
Mid Mid (pH 6-8) 2.65 8.76 -33.83 1 4 1 34 291.415 7

Activity (Go SEA)

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