UCSF

ZINC36804322

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 15 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) 0.12 0.14 -52.68 4 5 1 78 209.225 4
Hi High (pH 8-9.5) 0.12 -1.21 -12.67 3 5 0 74 208.217 4

Activity (Go SEA)

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