UCSF

ZINC37782917

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.21 6.53 -43.25 2 5 1 55 356.24 5
Hi High (pH 8-9.5) 2.21 4.81 -10.4 1 5 0 51 355.232 5

Activity (Go SEA)

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