UCSF

ZINC45628300

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 3.45 9.15 -33.9 2 4 1 52 294.415 11
Mid Mid (pH 6-8) 3.45 7.89 -5.27 1 4 0 48 293.407 11

Activity (Go SEA)

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