UCSF

ZINC13123838

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 30 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) 3.10 8.76 -21.6 2 8 0 106 438.538 7
Mid Mid (pH 6-8) 3.08 8.63 -60.9 1 8 -1 112 437.53 6

Activity (Go SEA)

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