UCSF

ZINC22060229

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 31 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) 2.71 5.71 -48.97 3 7 -1 127 437.553 12

Activity (Go SEA)

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