UCSF

ZINC22160070

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 1.85 4.24 -53.06 1 6 -1 91 293.324 4
Hi High (pH 8-9.5) 1.85 4.31 -103.55 0 6 -2 93 292.316 4

Activity (Go SEA)

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