UCSF

ZINC37039073

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.74 5.47 -112.99 4 5 2 66 281.4 5
Hi High (pH 8-9.5) 0.74 5.08 -41.17 3 5 1 64 280.392 5
Mid Mid (pH 6-8) 0.74 3.99 -46.91 3 5 1 64 280.392 5

Activity (Go SEA)

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