UCSF

ZINC06782995

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 31 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) 5.19 12.71 -57.71 0 7 -1 106 421.473 9
Mid Mid (pH 6-8) 5.63 1.23 -17.88 1 7 0 103 422.481 8

Activity (Go SEA)

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