UCSF

ZINC23654424

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 21 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) 2.20 5.52 -10.79 1 5 0 62 303.749 4
Mid Mid (pH 6-8) 2.20 7.82 -51.26 2 5 1 63 304.757 4

Activity (Go SEA)

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