UCSF

ZINC37838106

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -1.45 -2.95 -58.2 3 9 -1 150 328.392 7
Hi High (pH 8-9.5) -1.45 -3.29 -95.56 2 9 -2 152 327.384 7

Activity (Go SEA)

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