UCSF

ZINC44676989

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 14 No

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) 2.91 8.02 -35.23 2 1 1 17 253.163 4
Mid Mid (pH 6-8) 2.91 6.87 -3.55 1 1 0 12 252.155 4

Activity (Go SEA)

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