UCSF

ZINC23195879

Substance Information

In ZINC since Heavy atoms Benign functionality
December 27th, 2008 26 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) 3.72 10.76 -53.08 2 5 1 56 359.49 7
Hi High (pH 8-9.5) 3.72 8.76 -15.28 1 5 0 55 358.482 7

Activity (Go SEA)

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