UCSF

ZINC00105706

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 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) 2.09 2.48 -18.32 3 7 0 112 337.401 5
Hi High (pH 8-9.5) 2.55 1.19 -101.36 1 7 -2 117 335.385 5
Mid Mid (pH 6-8) 2.55 0.6 -42.35 2 7 -1 115 336.393 5
Mid Mid (pH 6-8) 2.09 3.08 -49.31 2 7 -1 114 336.393 5

Activity (Go SEA)

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