UCSF

ZINC34994942

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 No

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) 1.71 5.08 -56.4 2 6 1 75 280.348 6
Hi High (pH 8-9.5) 1.71 3.72 -8.99 1 6 0 70 279.34 6
Lo Low (pH 4.5-6) 1.71 5.98 -44.81 2 6 1 72 280.348 6

Activity (Go SEA)

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