UCSF

ZINC30287557

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2009 20 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) 2.25 2.67 -12.06 1 6 0 86 380.241 6
Hi High (pH 8-9.5) 2.25 2.25 -42.58 0 6 -1 88 379.233 6

Activity (Go SEA)

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