UCSF

ZINC66212292

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2011 23 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) 2.24 4.47 -13.86 3 5 0 70 311.385 7
Mid Mid (pH 6-8) 2.24 5.82 -57.51 4 5 1 75 312.393 7

Activity (Go SEA)

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