UCSF

ZINC32244038

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 24 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) 3.46 7.86 -42.1 2 5 1 52 402.353 9
Hi High (pH 8-9.5) 3.46 5.79 -9.01 1 5 0 51 401.345 9

Activity (Go SEA)

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