UCSF

ZINC23361012

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 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) 4.04 8.97 -16 2 6 0 84 388.537 9
Hi High (pH 8-9.5) 4.22 7.92 -42.69 1 6 -1 90 387.529 9

Activity (Go SEA)

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