UCSF

ZINC22925126

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 27 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) 3.16 5.26 -6.87 1 5 0 43 374.456 8
Mid Mid (pH 6-8) 3.16 6.48 -51.26 2 5 1 48 375.464 8

Activity (Go SEA)

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