UCSF

ZINC61418601

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 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) 1.21 3.99 -36.01 3 5 1 71 254.317 3
Mid Mid (pH 6-8) 1.21 3.47 -11.31 2 5 0 70 253.309 3
Lo Low (pH 4.5-6) 1.21 4.32 -122.31 4 5 2 72 255.325 3

Activity (Go SEA)

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

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