UCSF

ZINC06553864

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 28 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) 3.26 10.99 -59.41 0 5 -1 74 372.4 5
Mid Mid (pH 6-8) 2.67 9.76 -11.84 0 5 0 68 373.408 5
Mid Mid (pH 6-8) 3.26 9.38 -12.56 1 5 0 71 373.408 5

Activity (Go SEA)

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