UCSF

ZINC05408717

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 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) 2.70 7.28 -57.06 0 6 -1 79 386.811 5
Mid Mid (pH 6-8) 3.15 -1.44 -19.22 1 6 0 76 387.819 4
Mid Mid (pH 6-8) 2.12 0.53 -13.89 0 6 0 72 387.819 5

Activity (Go SEA)

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