UCSF

ZINC32590462

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 25 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) 2.30 7.56 -56.4 3 5 1 68 350.527 4
Hi High (pH 8-9.5) 2.30 7.27 -13.61 2 5 0 67 349.519 4

Activity (Go SEA)

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