UCSF

ZINC37618930

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 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) 4.88 10.53 -101.93 3 2 2 21 282.516 7
Hi High (pH 8-9.5) 4.88 9.34 -30.65 2 2 1 16 281.508 7
Hi High (pH 8-9.5) 4.88 8.38 -36.05 2 2 1 20 281.508 7

Activity (Go SEA)

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