UCSF

ZINC08996740

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 35 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) 2.81 8.2 -51 2 9 1 99 485.557 10
Mid Mid (pH 6-8) 1.78 8.88 -51.74 1 9 1 96 485.557 11

Activity (Go SEA)

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