UCSF

ZINC34234424

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 18 No

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) 2.47 9.17 -36.83 1 5 1 63 244.274 4
Mid Mid (pH 6-8) 2.47 9.17 -11.64 0 5 0 62 243.266 4

Activity (Go SEA)

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