UCSF

ZINC09271278

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 35 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) 5.52 13.67 -70.3 1 6 0 74 519.469 10
Mid Mid (pH 6-8) 5.96 14.35 -49.09 2 6 1 71 520.477 9

Activity (Go SEA)

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