UCSF

ZINC35367890

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 0.12 2.84 -38.43 4 6 1 76 264.353 3
Mid Mid (pH 6-8) 0.12 3.17 -89.23 5 6 2 77 265.361 3
Mid Mid (pH 6-8) 0.12 0.94 -30.97 4 6 1 76 264.353 3
Mid Mid (pH 6-8) 0.12 0.64 -10.26 3 6 0 74 263.345 3

Activity (Go SEA)

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

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