UCSF

ZINC13683301

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 21 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) -0.88 5.12 -21.63 2 6 0 88 304.306 2
Hi High (pH 8-9.5) 0.49 2.31 -117.47 0 6 -2 97 302.29 2
Mid Mid (pH 6-8) -0.81 4.57 -71.8 1 6 -1 94 303.298 2

Activity (Go SEA)

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

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