UCSF

ZINC44243153

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 16 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) 1.54 1.54 -10.85 1 5 0 83 304.169 4
Mid Mid (pH 6-8) 1.54 1.12 -34.91 0 5 -1 85 303.161 4

Activity (Go SEA)

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