UCSF

ZINC69521136

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 17 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) 0.00 -0.29 -42.94 2 6 1 68 241.315 4
Hi High (pH 8-9.5) 0.00 -1.53 -9.1 1 6 0 63 240.307 4
Lo Low (pH 4.5-6) 0.00 0.89 -44.17 2 6 1 65 241.315 4
Lo Low (pH 4.5-6) 0.00 2.13 -106.63 3 6 2 69 242.323 4

Activity (Go SEA)

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

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