UCSF

ZINC01213865

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2004 32 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) 4.60 8.14 -48.88 0 8 -1 111 520.743 6
Mid Mid (pH 6-8) 4.14 10.57 -15.07 1 8 0 107 521.751 6

Activity (Go SEA)

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