UCSF

ZINC36877242

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 2.55 5.45 -44.99 3 3 1 45 257.144 3
Hi High (pH 8-9.5) 2.55 4.66 -7.83 2 3 0 41 256.136 3
Hi High (pH 8-9.5) 2.55 4.02 -5.3 2 3 0 41 256.136 3

Activity (Go SEA)

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