UCSF

ZINC31295003

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 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) 4.72 10.68 -18.74 1 6 0 68 447.329 7
Mid Mid (pH 6-8) 4.72 11.3 -45.87 2 6 1 69 448.337 7

Activity (Go SEA)

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