UCSF

ZINC37003596

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) 0.99 3.89 -74.68 2 6 0 91 316.404 4
Hi High (pH 8-9.5) 0.99 3.73 -92.15 1 6 -1 93 315.396 4
Hi High (pH 8-9.5) 0.99 1.47 -49.82 1 6 -1 90 315.396 4

Activity (Go SEA)

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