UCSF

ZINC17146399

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 32 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 6.79 -63.99 1 7 -1 103 429.452 6
Mid Mid (pH 6-8) 2.49 6.74 -14.4 2 7 0 100 430.46 6
Mid Mid (pH 6-8) 1.91 7.2 -15.68 1 7 0 97 430.46 6
Lo Low (pH 4.5-6) 1.91 7.48 -45.79 2 7 1 98 431.468 6
Lo Low (pH 4.5-6) 2.49 7.02 -41.95 3 7 1 101 431.468 6

Activity (Go SEA)

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