UCSF

ZINC01163484

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 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) 4.62 10.03 -51.28 0 9 -1 130 470.461 7
Mid Mid (pH 6-8) 4.16 12.47 -15.94 1 9 0 127 471.469 7

Activity (Go SEA)

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