UCSF

ZINC20327036

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 31 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 10.07 -31.55 3 4 1 50 412.557 5
Hi High (pH 8-9.5) 3.88 9.75 -9.88 2 4 0 48 411.549 5
Mid Mid (pH 6-8) 3.88 11.19 -52.5 3 4 1 53 412.557 5

Activity (Go SEA)

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