UCSF

ZINC34462276

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 12 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) -0.07 3.99 -11.03 0 3 0 51 165.24 5
Mid Mid (pH 6-8) -0.07 5.94 -58.4 1 3 1 52 166.248 5

Activity (Go SEA)

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