UCSF

ZINC21548817

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 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) 0.97 2.88 -42.69 4 6 1 80 337.469 5
Hi High (pH 8-9.5) 0.97 0.6 -14.81 3 6 0 79 336.461 5

Activity (Go SEA)

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