UCSF

ZINC06458079

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2006 36 No

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) 4.17 4.84 -53 2 9 1 117 494.568 12
Mid Mid (pH 6-8) 3.59 5.18 -65.53 1 9 1 113 494.568 12

Activity (Go SEA)

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