UCSF

ZINC09776944

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2007 38 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) 2.41 12.26 -68.43 2 7 1 72 512.63 6
Mid Mid (pH 6-8) 2.41 9.99 -19.57 1 7 0 71 511.622 6

Activity (Go SEA)

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