UCSF

ZINC27103968

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 27 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) 5.87 15.01 -22.22 1 4 1 35 365.545 6
Mid Mid (pH 6-8) 5.87 14.6 -8.29 0 4 0 34 364.537 6

Activity (Go SEA)

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