UCSF

ZINC44265260

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) 3.91 7.62 -16.34 1 3 0 42 264.115 1
Hi High (pH 8-9.5) 3.91 7.2 -42.91 0 3 -1 40 263.107 1

Activity (Go SEA)

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