UCSF

ZINC42578684

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 2.88 6.25 -102.06 4 3 2 41 258.45 8
Hi High (pH 8-9.5) 2.88 6.82 -38.23 3 3 1 44 257.442 8

Activity (Go SEA)

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