UCSF

ZINC59369345

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 15 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) 3.02 6.69 -30.47 1 2 1 8 211.373 3
Hi High (pH 8-9.5) 3.02 4.26 -0.7 0 2 0 6 210.365 3
Hi High (pH 8-9.5) 3.02 6.52 -31.47 1 2 1 8 211.373 3

Activity (Go SEA)

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