UCSF

ZINC34680737

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 28 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) 3.00 10.66 -14.5 1 6 0 66 378.476 4
Lo Low (pH 4.5-6) 3.00 10.95 -43.43 2 6 1 67 379.484 4

Activity (Go SEA)

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