UCSF

ZINC21808627

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 2.57 5.22 -55.16 4 5 1 79 308.427 6
Mid Mid (pH 6-8) 2.57 4.95 -12.84 3 5 0 77 307.419 6

Activity (Go SEA)

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