UCSF

ZINC39917147

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 25 Yes

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) 3.55 10.49 -43.5 1 4 1 26 355.893 4
Mid Mid (pH 6-8) 3.55 8.13 -9.32 0 4 0 24 354.885 4
Mid Mid (pH 6-8) 3.55 10.36 -46.95 1 4 1 26 355.893 4
Lo Low (pH 4.5-6) 3.55 10.91 -91.58 2 4 2 27 356.901 4

Activity (Go SEA)

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