UCSF

ZINC19536691

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 18 No

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) 2.20 7.17 -39.4 1 5 1 53 270.74 3
Mid Mid (pH 6-8) 2.20 7.03 -39.57 1 5 1 53 270.74 3
Mid Mid (pH 6-8) 2.20 4.71 -4.85 0 5 0 52 269.732 3

Activity (Go SEA)

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