UCSF

ZINC37097194

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.99 4.96 -114.29 4 4 2 51 256.39 4
Hi High (pH 8-9.5) 0.99 3 -40.45 3 4 1 49 255.382 4
Hi High (pH 8-9.5) 0.99 4.73 -29.55 3 4 1 49 255.382 4

Activity (Go SEA)

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