UCSF

ZINC44648645

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 1.72 5.14 -55.37 3 5 1 72 269.296 7
Hi High (pH 8-9.5) 1.72 3.8 -14.81 2 5 0 67 268.288 7

Activity (Go SEA)

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