UCSF

ZINC21819587

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 2.85 4.35 -91.04 0 5 -2 88 344.603 6
Mid Mid (pH 6-8) 2.85 4.27 -51.02 1 5 -1 86 345.611 6

Activity (Go SEA)

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