UCSF

ZINC37869636

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 18 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) 1.76 1.86 -41.65 4 4 1 69 263.239 6
Mid Mid (pH 6-8) 1.76 0.74 -6.84 3 4 0 64 262.231 6

Activity (Go SEA)

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