UCSF

ZINC37032509

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 3.40 8.64 -106.75 3 2 2 21 238.419 3
Hi High (pH 8-9.5) 3.40 8.15 -32.12 2 2 1 16 237.411 3
Hi High (pH 8-9.5) 3.40 6.22 -32.82 2 2 1 20 237.411 3

Activity (Go SEA)

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