UCSF

ZINC12378133

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2008 25 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) 3.59 -1.32 -9.57 1 6 0 82 440.344 4

Activity (Go SEA)

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