UCSF

ZINC62258456

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2011 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) 3.62 6.23 -8.4 2 3 0 41 315.244 5
Lo Low (pH 4.5-6) 3.62 7.48 -48.91 3 3 1 46 316.252 5

Activity (Go SEA)

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