UCSF

ZINC22036587

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 1.17 6.64 -51.01 2 7 1 64 358.466 5
Hi High (pH 8-9.5) 1.17 4.83 -29.12 1 7 0 63 357.458 5

Activity (Go SEA)

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