UCSF

ZINC32441028

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2009 21 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) 2.72 5.38 -40.55 2 4 1 51 315.434 5
Hi High (pH 8-9.5) 2.72 3.23 -10.58 1 4 0 49 314.426 5

Activity (Go SEA)

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