UCSF

ZINC39132977

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 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) 1.29 2.71 -8.71 4 4 0 67 174.207 2
Mid Mid (pH 6-8) 1.29 3.2 -29.41 5 4 1 68 175.215 2
Lo Low (pH 4.5-6) 1.29 3.01 -89.76 6 4 2 70 176.223 2

Activity (Go SEA)

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