UCSF

ZINC44264052

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 14 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) -2.14 -1.56 -55.45 5 5 1 89 193.23 2
Mid Mid (pH 6-8) -2.14 -1.78 -9.85 4 5 0 88 192.222 2

Activity (Go SEA)

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