UCSF

ZINC36996617

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.34 9.52 -35.97 2 2 1 16 289.468 2
Hi High (pH 8-9.5) 2.34 7.27 -2.84 1 2 0 15 288.46 2
Lo Low (pH 4.5-6) 2.34 10.28 -119.38 3 2 2 21 290.476 2

Activity (Go SEA)

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