UCSF

ZINC04824587

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 18 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) -1.29 -1.19 -55.16 6 8 1 127 251.27 1
Lo Low (pH 4.5-6) -1.29 -5.35 -94.31 7 8 2 128 252.278 1

Activity (Go SEA)

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