UCSF

ZINC19817470

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 35 Yes

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) 1.26 9.19 -23.45 2 10 0 109 476.537 7
Mid Mid (pH 6-8) 1.26 11.53 -51.9 3 10 1 110 477.545 7

Activity (Go SEA)

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