UCSF

ZINC71287013

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2011 18 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) 3.69 10.45 -80.8 3 2 2 21 256.478 9

Activity (Go SEA)

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