UCSF

ZINC22743010

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 22 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) 4.01 7.99 -20.57 1 5 0 64 327.356 7
Mid Mid (pH 6-8) 3.53 7.08 -49.36 0 5 -1 70 326.348 7

Activity (Go SEA)

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