UCSF

ZINC04258121

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 32 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) 1.06 3.39 -43.27 7 9 1 155 441.508 12
Hi High (pH 8-9.5) 1.06 3.03 -16.18 6 9 0 154 440.5 12

Activity (Go SEA)

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