UCSF

ZINC12546154

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 22 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) 2.53 7.16 -14.01 2 4 0 58 293.37 6
Lo Low (pH 4.5-6) 2.53 7.43 -39.08 3 4 1 59 294.378 6

Activity (Go SEA)

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