UCSF

ZINC05988414

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 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) 3.48 10.27 -60.65 0 5 -1 74 372.4 5
Mid Mid (pH 6-8) 3.93 1.72 -21.37 1 5 0 70 373.408 4

Activity (Go SEA)

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