UCSF

ZINC04629027

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2005 30 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) 3.70 0.37 -59.86 2 5 1 51 401.465 4
Mid Mid (pH 6-8) 3.70 0.52 -116.44 3 5 2 52 402.473 4

Activity (Go SEA)

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