UCSF

ZINC01211408

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 29 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) 0.33 -1.86 -60.52 3 8 -1 131 393.375 7

Activity (Go SEA)

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