UCSF

ZINC44242852

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 21 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) 2.50 1.86 -101.98 1 7 -2 121 371.168 4
Mid Mid (pH 6-8) 2.50 1.86 -49.43 2 7 -1 119 372.176 4

Activity (Go SEA)

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