UCSF

ZINC37228717

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 0.23 0.92 -48.78 4 5 1 66 241.359 4
Mid Mid (pH 6-8) 0.23 3.38 -125.39 5 5 2 67 242.367 4
Mid Mid (pH 6-8) 0.23 2.18 -41.53 4 5 1 63 241.359 4

Activity (Go SEA)

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