UCSF

ZINC44518367

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 14 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) 1.48 4.64 -34.33 2 2 1 16 211.251 4
Mid Mid (pH 6-8) 1.48 5.87 -99.41 3 2 2 21 212.259 4

Activity (Go SEA)

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