UCSF

ZINC37333453

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 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) 3.21 8.46 -43.01 1 3 1 31 280.363 4
Mid Mid (pH 6-8) 3.21 6.29 -10.25 0 3 0 30 279.355 4

Activity (Go SEA)

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