UCSF

ZINC37097466

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 4.16 8.51 -106.86 3 2 2 21 238.419 5
Hi High (pH 8-9.5) 4.16 7.26 -31.95 2 2 1 16 237.411 5
Hi High (pH 8-9.5) 4.16 6.59 -33.18 2 2 1 20 237.411 5

Activity (Go SEA)

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