UCSF

ZINC21787058

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 23 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) 3.84 10.38 -14.26 0 4 0 38 313.445 5
Mid Mid (pH 6-8) 3.84 10.86 -28.25 1 4 1 39 314.453 5

Activity (Go SEA)

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