UCSF

ZINC30363400

Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 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) 2.55 8.91 -48 2 3 1 34 281.379 4
Mid Mid (pH 6-8) 2.55 6.64 -10.75 1 3 0 32 280.371 4

Activity (Go SEA)

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