UCSF

ZINC20581462

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 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) 1.06 3.56 -66.48 2 4 0 42 204.324 4
Hi High (pH 8-9.5) 1.06 1.03 -42.17 1 4 -1 41 203.316 4

Activity (Go SEA)

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