UCSF

ZINC45245489

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 22 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) 3.00 8.73 -11.19 0 3 0 40 287.366 5
Lo Low (pH 4.5-6) 3.00 8.41 -32.04 1 3 1 41 288.374 5

Activity (Go SEA)

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