UCSF

ZINC37032389

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 3.97 7.64 -32.72 2 2 1 20 253.454 3
Mid Mid (pH 6-8) 3.97 8.99 -30.67 2 2 1 16 253.454 3

Activity (Go SEA)

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