UCSF

ZINC21704367

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 33 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) 2.92 8.89 -47.23 1 9 0 104 467.551 8
Hi High (pH 8-9.5) 2.92 6.67 -48.89 0 9 -1 103 466.543 8
Hi High (pH 8-9.5) 3.10 7.74 -27.1 1 9 0 97 467.551 8
Mid Mid (pH 6-8) 3.10 9.96 -68.12 2 9 1 98 468.559 8

Activity (Go SEA)

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