UCSF

ZINC44675938

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 20 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) 4.37 9.45 -125.6 4 2 2 33 272.436 4
Hi High (pH 8-9.5) 4.37 7.99 -34.35 3 2 1 29 271.428 4
Hi High (pH 8-9.5) 4.37 8.24 -38.96 3 2 1 29 271.428 4

Activity (Go SEA)

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