UCSF

ZINC42253583

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 2.32 4.78 -8.44 3 4 0 68 247.342 4
Lo Low (pH 4.5-6) 2.32 5.12 -34.32 4 4 1 69 248.35 4

Activity (Go SEA)

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