UCSF

ZINC34681623

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 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) 4.80 13.97 -48.53 2 5 1 50 473.494 6
Lo Low (pH 4.5-6) 4.80 14.32 -107.68 3 5 2 51 474.502 6

Activity (Go SEA)

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