UCSF

ZINC08468664

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 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) 3.89 9.16 -60.04 0 5 -1 70 443.317 7
Mid Mid (pH 6-8) 3.31 -0.48 -10.93 0 5 0 63 444.325 7
Lo Low (pH 4.5-6) 3.89 8.34 -16.24 1 5 0 67 444.325 7

Activity (Go SEA)

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