UCSF

ZINC04234728

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 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) 2.21 6.62 -5.89 3 4 0 68 218.304 1
Lo Low (pH 4.5-6) 2.21 7.11 -30.96 4 4 1 69 219.312 1

Activity (Go SEA)

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