UCSF

ZINC44562357

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2010 14 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) 1.20 5.57 -40.25 2 3 1 40 196.318 4
Hi High (pH 8-9.5) 1.20 3.57 -4.3 1 3 0 39 195.31 4

Activity (Go SEA)

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