UCSF

ZINC40332598

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 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) -0.30 1.09 -14.06 3 7 0 92 266.301 4
Mid Mid (pH 6-8) -0.75 -0.11 -57.9 3 7 1 90 267.309 4
Lo Low (pH 4.5-6) -0.75 2.03 -103.08 4 7 2 91 268.317 4

Activity (Go SEA)

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

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