UCSF

ZINC09153063

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 29 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) 1.11 -2.7 -25.8 0 10 0 114 420.447 4
Mid Mid (pH 6-8) 1.11 -2.49 -54.38 1 10 1 116 421.455 4

Activity (Go SEA)

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