UCSF

ZINC19448019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 16 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) 1.02 5.16 -36.24 1 3 1 21 220.34 3
Hi High (pH 8-9.5) 1.02 2.88 -3.63 0 3 0 19 219.332 3
Mid Mid (pH 6-8) 1.02 5.23 -39.54 1 3 1 21 220.34 3

Activity (Go SEA)

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