UCSF

ZINC01218555

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2004 29 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) 4.89 10.42 -14.03 1 8 0 114 449.275 4
Mid Mid (pH 6-8) 4.96 9.18 -39.97 0 8 -1 120 448.267 4

Activity (Go SEA)

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