UCSF

ZINC04193768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 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) 5.19 8.41 -11.26 1 6 0 73 398.484 6
Ref Reference (pH 7) 5.19 8.83 -11.13 1 6 0 73 398.484 6
Mid Mid (pH 6-8) 4.70 8.27 -43.23 0 6 -1 72 397.476 7
Lo Low (pH 4.5-6) 4.70 8.81 -17.07 1 6 0 70 398.484 7

Activity (Go SEA)

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