UCSF

ZINC03942375

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 24 Yes

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) 3.48 7.28 -45.14 1 5 -1 78 405.659 3
Mid Mid (pH 6-8) 3.48 -3.74 -13.53 2 5 0 75 406.667 3

Activity (Go SEA)

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