UCSF

ZINC23325033

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 26 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 9.87 -25.76 1 7 0 90 387.852 4
Hi High (pH 8-9.5) 2.27 8.72 -70.67 0 7 -1 96 386.844 4

Activity (Go SEA)

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