UCSF

ZINC25516053

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 3.74 5.35 -14.17 2 5 0 75 378.45 4
Mid Mid (pH 6-8) 3.74 5.42 -42.93 1 5 -1 77 377.442 4

Activity (Go SEA)

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