UCSF

ZINC08436045

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 28 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) 2.49 8.95 -57.94 0 5 -1 73 369.4 5
Mid Mid (pH 6-8) 1.90 9.2 -10.53 0 5 0 67 370.408 5
Mid Mid (pH 6-8) 2.49 8.86 -10.42 1 5 0 71 370.408 5
Lo Low (pH 4.5-6) 2.49 9.14 -48.98 2 5 1 72 371.416 5
Lo Low (pH 4.5-6) 1.90 9.48 -41.37 1 5 1 69 371.416 5

Activity (Go SEA)

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