UCSF

ZINC01850494

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 23 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) 5.57 9.51 -31.2 0 3 -1 44 366.224 3
Mid Mid (pH 6-8) 5.57 9.88 -9.7 1 3 0 42 367.232 3

Activity (Go SEA)

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