UCSF

ZINC09323835

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 24 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) 7.21 10.18 -4.99 1 3 0 45 418.132 2
Hi High (pH 8-9.5) 7.67 8.44 -36.14 0 3 -1 48 417.124 2
Hi High (pH 8-9.5) 7.67 8.95 -34.48 0 3 -1 48 417.124 2

Activity (Go SEA)

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