UCSF

ZINC23369113

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) 2.98 7.75 -41.07 1 5 1 35 373.517 6
Hi High (pH 8-9.5) 2.98 5.37 -5.97 0 5 0 34 372.509 6
Mid Mid (pH 6-8) 2.98 7.61 -37.73 1 5 1 35 373.517 6

Activity (Go SEA)

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