UCSF

ZINC43405277

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.29 3.94 -103.66 5 4 2 65 263.385 3
Hi High (pH 8-9.5) 1.29 3.53 -53.6 4 4 1 64 262.377 3
Hi High (pH 8-9.5) 1.29 3.53 -24.57 4 4 1 64 262.377 3

Activity (Go SEA)

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