UCSF

ZINC36891762

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 1.91 5.92 -45.88 2 4 1 52 238.307 7
Hi High (pH 8-9.5) 1.91 4.81 -6.99 1 4 0 48 237.299 7

Activity (Go SEA)

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