UCSF

ZINC40089750

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 26 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) 2.67 7.81 -43.36 2 5 1 46 354.474 6
Mid Mid (pH 6-8) 2.67 7.69 -42.83 2 5 1 46 354.474 6
Mid Mid (pH 6-8) 2.67 5.44 -12.22 1 5 0 45 353.466 6

Activity (Go SEA)

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