UCSF

ZINC29819728

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2009 20 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) -0.93 -0.06 -55.98 3 7 1 98 299.376 5
Mid Mid (pH 6-8) -0.93 -2.39 -17.7 2 7 0 97 298.368 5

Activity (Go SEA)

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