UCSF

ZINC44262530

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 12 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) 1.87 3.86 -5.76 2 3 0 52 165.24 1
Mid Mid (pH 6-8) 1.87 4.05 -25 3 3 1 53 166.248 1

Activity (Go SEA)

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