UCSF

ZINC65330694

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 26 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) 2.59 9.25 -47.87 1 6 1 54 374.534 4
Mid Mid (pH 6-8) 2.59 7.03 -10.93 0 6 0 53 373.526 4

Activity (Go SEA)

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