UCSF

ZINC44262803

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 16 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) 2.65 6.09 -7.24 2 3 0 52 213.284 2
Lo Low (pH 4.5-6) 2.65 6.5 -24.63 3 3 1 53 214.292 2

Activity (Go SEA)

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