UCSF

ZINC36215910

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 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) 2.62 7.14 -32.84 3 8 0 120 384.436 11
Hi High (pH 8-9.5) 2.62 6.06 -51.62 2 8 -1 115 383.428 11

Activity (Go SEA)

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