UCSF

ZINC25064611

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 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) 3.08 4.74 -20.98 2 7 0 91 442.463 7
Mid Mid (pH 6-8) 3.08 5.03 -50.59 3 7 1 93 443.471 7

Activity (Go SEA)

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