UCSF

ZINC22048517

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 12 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) -1.04 -8.74 -39.03 5 6 1 99 175.164 1
Hi High (pH 8-9.5) -0.91 -9.28 -17.29 4 6 0 95 174.156 1

Activity (Go SEA)

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