UCSF

ZINC37847747

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.76 6.59 -106.44 4 4 2 51 361.324 9
Hi High (pH 8-9.5) 2.76 5.43 -38.31 3 4 1 46 360.316 9

Activity (Go SEA)

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