UCSF

ZINC01841496

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 26 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) 5.03 8.43 -42.31 0 4 -1 53 377.367 5
Mid Mid (pH 6-8) 5.03 8.86 -19.94 1 4 0 51 378.375 5

Activity (Go SEA)

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