UCSF

ZINC37318640

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 0.58 3.52 -39.39 4 5 1 63 267.397 3
Mid Mid (pH 6-8) 0.58 2.17 -49.18 4 5 1 66 267.397 3
Lo Low (pH 4.5-6) 0.58 4.55 -117.05 5 5 2 67 268.405 3

Activity (Go SEA)

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

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