UCSF

ZINC37037976

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) -0.47 5.98 -114.1 4 5 2 66 281.4 4
Hi High (pH 8-9.5) -0.47 5.6 -40.19 3 5 1 64 280.392 4
Mid Mid (pH 6-8) -0.47 4.16 -50.42 3 5 1 64 280.392 4

Activity (Go SEA)

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