UCSF

ZINC44660106

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 1.39 4.12 -33.17 2 3 1 29 215.361 5
Hi High (pH 8-9.5) 1.39 4.66 -30.93 2 3 1 26 215.361 5

Activity (Go SEA)

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