UCSF

ZINC11615521

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 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) 2.55 -5.19 -12.55 1 5 0 68 349.231 4
Hi High (pH 8-9.5) 2.55 -4.64 -44.07 0 5 -1 70 348.223 4

Activity (Go SEA)

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