UCSF

ZINC22326667

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 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) 3.08 7.81 -36.15 2 4 1 46 300.426 4
Mid Mid (pH 6-8) 3.08 7.61 -10.57 1 4 0 45 299.418 4

Activity (Go SEA)

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