UCSF

ZINC19608903

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 17 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) 3.49 10.38 -105.17 2 2 2 9 242.451 7
Hi High (pH 8-9.5) 3.49 6.02 -0.46 0 2 0 6 240.435 7
Mid Mid (pH 6-8) 3.49 7.88 -31.53 1 2 1 8 241.443 7

Activity (Go SEA)

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