UCSF

ZINC44471995

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 15 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) 3.11 8.13 -104.75 3 2 2 21 214.397 7
Hi High (pH 8-9.5) 3.11 5.33 0.1 1 2 0 15 212.381 7
Hi High (pH 8-9.5) 3.11 6.88 -29.76 2 2 1 16 213.389 7
Mid Mid (pH 6-8) 3.11 6.42 -31.91 2 2 1 20 213.389 7

Activity (Go SEA)

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