UCSF

ZINC19608992

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 22 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) 3.00 9.42 -38.16 1 5 1 53 304.414 4
Mid Mid (pH 6-8) 3.00 9.57 -51.19 1 5 1 53 304.414 4

Activity (Go SEA)

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