UCSF

ZINC48940058

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 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) -1.24 -0.43 -21.02 3 9 0 118 275.272 5
Mid Mid (pH 6-8) -1.24 -0.45 -49.91 2 9 -1 116 274.264 5

Activity (Go SEA)

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