UCSF

ZINC03356979

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 22 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) 2.74 10.46 -12.74 0 5 0 52 310.382 3
Mid Mid (pH 6-8) 2.75 11.03 -32.63 2 5 1 57 311.39 3
Mid Mid (pH 6-8) 2.74 10.98 -31.36 1 5 1 54 311.39 3

Activity (Go SEA)

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