UCSF

ZINC37856001

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -0.24 1.27 -105.68 4 5 2 54 261.41 9
Hi High (pH 8-9.5) -0.24 -0.62 -34.23 3 5 1 49 260.402 9
Mid Mid (pH 6-8) -0.24 1.7 -42.26 3 5 1 57 260.402 9

Activity (Go SEA)

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