UCSF

ZINC70330070

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 20 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) 1.23 -0.07 -100.28 2 7 -2 124 298.251 4
Mid Mid (pH 6-8) 1.23 -0.09 -50.71 3 7 -1 122 299.259 4
Mid Mid (pH 6-8) 1.23 0.67 -97 2 7 -2 125 298.251 4

Activity (Go SEA)

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

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