UCSF

ZINC37115939

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 2.35 5.97 -38.41 2 3 1 43 200.302 4
Mid Mid (pH 6-8) 2.35 5.02 -4.35 1 3 0 38 199.294 4

Activity (Go SEA)

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