UCSF

ZINC45649898

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 12 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) 1.59 3.13 -33.77 2 2 1 20 171.308 3
Lo Low (pH 4.5-6) 1.59 5.47 -100.16 3 2 2 21 172.316 3

Activity (Go SEA)

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