UCSF

ZINC61496786

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 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) -0.28 0.97 -46.31 3 5 1 79 255.301 3
Hi High (pH 8-9.5) -0.28 0.64 -9.56 2 5 0 78 254.293 3
Lo Low (pH 4.5-6) -0.28 1.43 -91.53 4 5 2 81 256.309 3

Activity (Go SEA)

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

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