UCSF

ZINC44261805

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 20 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) 2.00 1.63 -60.5 3 6 1 92 315.375 2
Hi High (pH 8-9.5) 1.07 -0.26 -41.86 1 6 -1 86 313.359 3
Mid Mid (pH 6-8) 1.07 1.16 -60.88 2 6 0 91 314.367 3
Mid Mid (pH 6-8) 2.00 0.24 -11.97 2 6 0 87 314.367 2

Activity (Go SEA)

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