UCSF

ZINC35114653

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 16 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) 0.91 0.56 -9.46 1 5 0 52 242.71 3
Mid Mid (pH 6-8) 0.91 2.87 -42.6 2 5 1 54 243.718 3

Activity (Go SEA)

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