UCSF

ZINC21368528

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 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) 1.65 6.04 -54.58 3 6 1 73 285.327 2
Mid Mid (pH 6-8) 1.65 4.6 -10.46 2 6 0 68 284.319 2

Activity (Go SEA)

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