UCSF

ZINC34884813

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 37 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) 3.23 8.3 -52.48 0 10 -1 118 498.519 4
Lo Low (pH 4.5-6) 3.23 8.3 -18.63 1 10 0 120 499.527 4

Activity (Go SEA)

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