UCSF

ZINC30905528

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 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) 2.29 4.36 -42.02 3 4 1 49 341.273 5
Mid Mid (pH 6-8) 2.29 6.57 -105.74 4 4 2 50 342.281 5
Mid Mid (pH 6-8) 2.29 5.28 -40.35 3 4 1 46 341.273 5

Activity (Go SEA)

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