UCSF

ZINC36983552

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 6.02 3.85 -101.14 0 5 -2 88 336.074 4
Lo Low (pH 4.5-6) 6.02 3.49 -37.7 1 5 -1 86 337.082 4

Activity (Go SEA)

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