UCSF

ZINC37858092

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 36 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) 4.11 8 -12.36 0 8 0 80 489.524 7
Mid Mid (pH 6-8) 4.11 10.86 -51.81 1 8 1 81 490.532 7

Activity (Go SEA)

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