UCSF

ZINC66594374

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2011 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) 3.08 8.76 -49.47 2 3 1 34 264.418 4
Hi High (pH 8-9.5) 3.08 7.6 -8.26 1 3 0 29 263.41 4

Activity (Go SEA)

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