UCSF

ZINC24985650

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 32 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) 2.52 7.95 -44 4 7 1 91 450.588 5
Hi High (pH 8-9.5) 2.52 8.95 -20.8 3 7 0 90 449.58 5
Lo Low (pH 4.5-6) 2.52 8.67 -54.57 4 7 1 95 450.588 5

Activity (Go SEA)

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