UCSF

ZINC32825781

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 1.31 5.06 -52.46 2 7 1 74 361.532 5
Hi High (pH 8-9.5) 1.31 3.25 -14.22 1 7 0 73 360.524 5

Activity (Go SEA)

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