UCSF

ZINC29484548

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 23 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) 3.02 7.92 -8.46 1 5 0 73 312.321 3
Mid Mid (pH 6-8) 3.02 8.83 -46.65 0 5 -1 76 311.313 3

Activity (Go SEA)

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