UCSF

ZINC15067942

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 28 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) 3.76 11.25 -9.57 0 4 0 27 377.532 3
Mid Mid (pH 6-8) 3.76 11.11 -34.6 1 4 1 28 378.54 3

Activity (Go SEA)

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