UCSF

ZINC08779463

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 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) 2.74 1.69 -50.64 2 9 1 98 499.584 12
Mid Mid (pH 6-8) 2.16 1.57 -60.15 1 9 1 95 499.584 12

Activity (Go SEA)

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