UCSF

ZINC34670132

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 33 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) 2.06 8.69 -50.23 1 6 1 46 460.545 8
Hi High (pH 8-9.5) 2.06 6.53 -12.34 0 6 0 45 459.537 8
Lo Low (pH 4.5-6) 2.06 8.78 -50.81 1 6 1 46 460.545 8

Activity (Go SEA)

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