UCSF

ZINC19885468

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 29 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) 3.88 10.25 -36.74 1 4 1 20 394.583 7
Mid Mid (pH 6-8) 3.88 10.24 -41.04 1 4 1 20 394.583 7
Mid Mid (pH 6-8) 3.88 12.5 -111.22 2 4 2 21 395.591 7

Activity (Go SEA)

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