UCSF

ZINC37008749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) -0.07 -0.23 -42.96 4 5 1 69 244.359 6
Hi High (pH 8-9.5) -0.07 -0.51 -6.49 3 5 0 68 243.351 6
Mid Mid (pH 6-8) -0.07 2.17 -104.14 5 5 2 70 245.367 6

Activity (Go SEA)

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