UCSF

ZINC05154581

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 19 Yes

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) 1.51 0.51 -42.51 2 6 -1 94 263.252 5
Mid Mid (pH 6-8) 1.05 1.98 -13.92 3 6 0 91 264.26 5

Activity (Go SEA)

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