UCSF

ZINC36978809

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 1.51 2.25 -11.96 2 5 0 71 291.376 5
Lo Low (pH 4.5-6) 1.51 2.7 -44.92 3 5 1 72 292.384 5

Activity (Go SEA)

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