UCSF

ZINC21531296

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 30 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) 2.63 4.2 -60.9 2 8 1 89 438.501 7
Mid Mid (pH 6-8) 2.63 5.11 -23.88 1 8 0 88 437.493 7

Activity (Go SEA)

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