UCSF

ZINC37808212

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 1.99 5.15 -39.25 3 3 1 48 255.769 4
Hi High (pH 8-9.5) 1.99 4.83 -7.53 2 3 0 46 254.761 4

Activity (Go SEA)

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