UCSF

ZINC45135356

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 16 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) 1.45 4.98 -79.1 3 3 2 24 227.396 4
Hi High (pH 8-9.5) 1.45 3.69 -30.62 2 3 1 20 226.388 4
Lo Low (pH 4.5-6) 1.45 6.03 -94.57 3 3 2 21 227.396 4

Activity (Go SEA)

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