UCSF

ZINC44685681

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 2.45 6.93 -35.66 2 4 1 35 354.268 4
Hi High (pH 8-9.5) 2.45 4.47 -5.71 1 4 0 34 353.26 4
Lo Low (pH 4.5-6) 2.45 5.72 -46.6 2 4 1 38 354.268 4

Activity (Go SEA)

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