UCSF

ZINC04524045

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 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) 5.49 8.24 -9.73 1 5 0 64 368.458 5
Mid Mid (pH 6-8) 5.00 8.13 -42.42 0 5 -1 63 367.45 6

Activity (Go SEA)

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