UCSF

ZINC37031602

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 1.01 4.35 -44.43 4 3 1 57 285.82 3
Hi High (pH 8-9.5) 1.01 4.02 -8.65 3 3 0 55 284.812 3

Activity (Go SEA)

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