UCSF

ZINC36778515

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) -0.73 0.19 -52.15 5 5 1 86 254.285 6
Hi High (pH 8-9.5) -0.54 -1.08 -55.9 4 5 0 92 253.277 6
Hi High (pH 8-9.5) -0.73 -0.19 -8.32 4 5 0 84 253.277 6

Activity (Go SEA)

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