UCSF

ZINC22976423

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 32 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) 4.14 7.99 -20.36 2 6 0 76 468.838 7

Activity (Go SEA)

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