UCSF

ZINC22391228

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 30 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) 3.35 6.48 -18.19 2 7 0 91 422.51 6
Mid Mid (pH 6-8) 3.35 6.55 -51.64 1 7 -1 93 421.502 6

Activity (Go SEA)

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