UCSF

ZINC01329571

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 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) 5.53 1.58 -19.07 1 7 0 93 476.533 8
Mid Mid (pH 6-8) 5.53 14.76 -53.68 2 7 1 94 477.541 8

Activity (Go SEA)

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