UCSF

ZINC22898134

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 19 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) 2.01 3.76 -10.41 1 5 0 54 261.325 3
Mid Mid (pH 6-8) 2.01 4.05 -36.8 2 5 1 56 262.333 3

Activity (Go SEA)

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