UCSF

ZINC29328424

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 27 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) 5.31 9.04 -67.24 1 4 -1 73 354.385 3
Hi High (pH 8-9.5) 5.31 9.83 -128.42 0 4 -2 76 353.377 3
Lo Low (pH 4.5-6) 5.31 9.38 -63.41 2 4 0 74 355.393 3

Activity (Go SEA)

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