UCSF

ZINC08904231

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 34 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) 3.41 12.11 -72.27 1 9 0 120 467.522 10
Mid Mid (pH 6-8) 3.86 12.16 -53.02 2 9 1 117 468.53 9

Activity (Go SEA)

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