UCSF

ZINC04095388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 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) 2.18 5.02 -65.72 1 6 -1 90 366.393 7
Mid Mid (pH 6-8) 2.62 -3.01 -30.75 2 6 0 87 367.401 6
Mid Mid (pH 6-8) 1.59 -2.78 -22.71 1 6 0 83 367.401 7

Activity (Go SEA)

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