UCSF

ZINC06425989

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 12 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) 1.08 2.09 -6.77 3 3 0 59 164.208 1
Ref Reference (pH 7) 1.21 2.14 -28.08 4 3 1 58 165.216 2
Mid Mid (pH 6-8) 1.21 3.18 -15.89 3 3 0 61 164.208 2
Lo Low (pH 4.5-6) 1.08 2.14 -28.19 4 3 1 60 165.216 1
Lo Low (pH 4.5-6) 1.08 2.04 -31.22 4 3 1 60 165.216 1

Activity (Go SEA)

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