UCSF

ZINC37173758

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.95 6.93 -39.17 2 4 1 38 239.387 6
Hi High (pH 8-9.5) 1.95 5.49 -4.77 1 4 0 33 238.379 6
Mid Mid (pH 6-8) 1.95 7.06 -92.26 3 4 2 39 240.395 6

Activity (Go SEA)

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