UCSF

ZINC37000722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) -0.22 -1.48 -46.23 5 8 1 132 268.249 3
Hi High (pH 8-9.5) -0.22 -0.71 -66.12 4 8 0 135 267.241 3

Activity (Go SEA)

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