UCSF

ZINC69797154

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 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) 1.80 2.64 -43.88 3 3 1 44 274.182 3
Mid Mid (pH 6-8) 1.80 4.58 -32.8 3 3 1 44 274.182 3
Mid Mid (pH 6-8) 1.80 4.97 -102.17 4 3 2 45 275.19 3

Activity (Go SEA)

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

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