UCSF

ZINC52271655

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 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) 1.17 -1.86 -9.99 4 5 0 92 242.3 3
Hi High (pH 8-9.5) 1.17 -1.09 -42.55 3 5 -1 95 241.292 3

Activity (Go SEA)

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