UCSF

ZINC37116286

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) -0.16 -0.71 -49.73 4 5 1 75 188.251 6
Mid Mid (pH 6-8) -0.16 -2.05 -17.02 3 5 0 70 187.243 6

Activity (Go SEA)

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