UCSF

ZINC62954886

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 4.22 9.58 -38.11 1 2 1 22 331.299 4
Mid Mid (pH 6-8) 4.22 7.4 -4.52 0 2 0 20 330.291 4

Activity (Go SEA)

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