UCSF

ZINC36612928

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 23 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) 3.72 7.71 -57.64 4 4 1 69 443.159 7
Mid Mid (pH 6-8) 3.72 6.58 -10.63 3 4 0 64 442.151 7

Activity (Go SEA)

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