UCSF

ZINC58862311

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2011 14 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) -1.62 -3.07 -47.53 3 6 -1 110 204.202 6
Lo Low (pH 4.5-6) -1.62 -5.08 -9.98 4 6 0 107 205.21 6

Activity (Go SEA)

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