UCSF

ZINC33810002

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.59 8.88 -61.58 1 6 1 64 331.392 4
Mid Mid (pH 6-8) 1.59 6.61 -22.66 0 6 0 63 330.384 4

Activity (Go SEA)

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