UCSF

ZINC19882302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 32 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) -1.71 -4.51 -19.8 4 12 0 146 454.528 8
Mid Mid (pH 6-8) -1.71 -2.15 -51.29 5 12 1 147 455.536 8

Activity (Go SEA)

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