UCSF

ZINC06554150

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 27 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) 3.03 9.86 -58.14 0 5 -1 74 358.373 5
Mid Mid (pH 6-8) 3.03 9.13 -12.73 1 5 0 71 359.381 5
Mid Mid (pH 6-8) 2.45 9.53 -11.43 0 5 0 68 359.381 5

Activity (Go SEA)

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