UCSF

ZINC34797991

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 21 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) 2.04 8.34 -53.35 0 5 -1 70 292.355 5
Lo Low (pH 4.5-6) 2.04 6.37 -12.38 1 5 0 67 293.363 5

Activity (Go SEA)

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