UCSF

ZINC34959236

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 13 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) 1.12 1.45 -8.64 1 4 0 49 271.18 4
Hi High (pH 8-9.5) 1.12 1.08 -38.42 0 4 -1 51 270.172 4

Activity (Go SEA)

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