UCSF

ZINC34988986

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 2.18 8.52 -51.01 1 5 1 67 237.279 6
Mid Mid (pH 6-8) 2.18 6.46 -14.05 0 5 0 66 236.271 6

Activity (Go SEA)

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