UCSF

ZINC69818262

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 19 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) -0.29 5.82 -98.41 3 5 2 55 272.389 5
Hi High (pH 8-9.5) -0.29 1.49 -10.82 1 5 0 53 270.373 5
Mid Mid (pH 6-8) -0.29 3.74 -37.98 2 5 1 54 271.381 5

Activity (Go SEA)

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