UCSF

ZINC22074954

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 3.81 6.2 -42.78 2 3 1 29 395.159 8
Hi High (pH 8-9.5) 3.81 5.03 -2.72 1 3 0 24 394.151 8
Mid Mid (pH 6-8) 3.81 7.04 -36.23 2 3 1 26 395.159 8
Mid Mid (pH 6-8) 3.81 8.58 -117.6 3 3 2 30 396.167 8

Activity (Go SEA)

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