UCSF

ZINC44269440

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) 4.33 4.64 -6.88 2 3 0 52 250.729 2
Lo Low (pH 4.5-6) 4.33 4.58 -24.61 3 3 1 53 251.737 2

Activity (Go SEA)

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