UCSF

ZINC21516251

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 21 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) 4.91 10.12 -40.99 2 3 1 34 288.459 8
Hi High (pH 8-9.5) 4.91 9.05 -7.92 1 3 0 30 287.451 8
Lo Low (pH 4.5-6) 4.91 10.58 -110.72 3 3 2 36 289.467 8

Activity (Go SEA)

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