UCSF

ZINC41090145

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 28 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) 5.22 14.2 -46.39 1 4 1 33 393.58 6
Mid Mid (pH 6-8) 5.22 11.96 -7.5 0 4 0 32 392.572 6

Activity (Go SEA)

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