UCSF

ZINC00959425

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2004 31 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) 3.64 10.07 -14.22 2 9 0 103 485.342 6
Lo Low (pH 4.5-6) 3.82 10.25 -36.52 3 9 1 108 486.35 6

Activity (Go SEA)

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