UCSF

ZINC04170960

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 26 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) 3.51 -0.98 -11.32 0 5 0 51 372.49 3
Lo Low (pH 4.5-6) 3.51 -0.84 -33.84 1 5 1 52 373.498 3

Activity (Go SEA)

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