UCSF

ZINC19519772

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 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) -2.59 -0.25 -66.95 4 6 1 88 216.261 4
Hi High (pH 8-9.5) -2.59 -0.84 -22.06 3 6 0 87 215.253 4

Activity (Go SEA)

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