UCSF

ZINC36771041

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 No

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) -2.26 -0.29 -51.58 4 6 1 90 237.283 5
Hi High (pH 8-9.5) -2.08 -0.31 -60.68 3 6 0 96 236.275 5
Hi High (pH 8-9.5) -2.26 -0.68 -9.34 3 6 0 88 236.275 5
Lo Low (pH 4.5-6) -2.26 0.17 -89.43 5 6 2 91 238.291 5

Activity (Go SEA)

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