UCSF

ZINC34823036

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 20 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) 2.64 9.45 -42.46 2 3 1 33 268.384 4
Mid Mid (pH 6-8) 2.64 9.9 -89.85 3 3 2 34 269.392 4

Activity (Go SEA)

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