UCSF

ZINC70008132

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 16 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) -0.41 1.48 -46.52 2 7 0 84 221.268 4
Hi High (pH 8-9.5) -0.41 0.87 -46.15 1 7 -1 83 220.26 4
Mid Mid (pH 6-8) -0.41 2.58 -79.74 3 7 1 88 222.276 4
Lo Low (pH 4.5-6) -0.41 1.95 -37.17 2 7 0 87 221.268 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.