UCSF

ZINC21807498

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) 3.39 7.02 -46.36 2 3 1 35 307.241 9
Hi High (pH 8-9.5) 3.39 5.74 -4.78 1 3 0 30 306.233 9

Activity (Go SEA)

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