UCSF

ZINC06445938

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 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) 0.40 3.14 -69.57 1 7 -1 103 367.381 8
Mid Mid (pH 6-8) -0.18 3.92 -28.85 1 7 0 97 368.389 8
Mid Mid (pH 6-8) 0.85 2.89 -24.12 2 7 0 100 368.389 7
Lo Low (pH 4.5-6) -0.18 4.21 -65.35 2 7 1 98 369.397 8
Lo Low (pH 4.5-6) 0.85 3.17 -60.35 3 7 1 101 369.397 7

Activity (Go SEA)

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