UCSF

ZINC44220828

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 16 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) 3.16 7.59 -48.35 0 3 -1 49 217.244 5
Lo Low (pH 4.5-6) 3.16 5.6 -6.88 1 3 0 47 218.252 5

Activity (Go SEA)

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