UCSF

ZINC45665858

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 2.41 5.84 -97.45 4 3 2 35 259.482 10
Hi High (pH 8-9.5) 2.41 3.35 -40.94 3 3 1 34 258.474 10
Lo Low (pH 4.5-6) 2.41 7.53 -212.25 5 3 3 37 260.49 10

Activity (Go SEA)

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