UCSF

ZINC37207939

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 No

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) -0.34 2.61 -49.66 3 5 1 66 228.316 5
Mid Mid (pH 6-8) -0.34 1.25 -17.16 2 5 0 61 227.308 5

Activity (Go SEA)

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