UCSF

ZINC01117361

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 34 No

Download: MOL2 SDF SMILES Flexibase

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) 3.94 10.47 -16.11 1 7 0 93 455.466 8
Mid Mid (pH 6-8) 3.36 11.18 -21.47 0 7 0 90 455.466 8

Activity (Go SEA)

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