UCSF

ZINC37196180

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 1.01 4.26 -28.89 2 5 1 53 250.322 6
Hi High (pH 8-9.5) 1.01 3.26 -10.76 1 5 0 52 249.314 6
Mid Mid (pH 6-8) 1.01 4.62 -31.49 2 5 1 57 250.322 6
Mid Mid (pH 6-8) 1.01 5.44 -93.58 3 5 2 58 251.33 6

Activity (Go SEA)

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