UCSF

ZINC24463977

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2009 28 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) 3.61 9.67 -10.81 0 6 0 56 395.532 6
Mid Mid (pH 6-8) 3.61 12.01 -43.44 1 6 1 57 396.54 6

Activity (Go SEA)

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