UCSF

ZINC60247560

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 19 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) 1.78 7.82 -67.25 2 5 0 74 264.325 6
Mid Mid (pH 6-8) 1.78 7.54 -54.92 1 5 -1 72 263.317 6

Activity (Go SEA)

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