UCSF

ZINC44608977

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 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) 0.24 1.3 -39.39 3 3 1 44 214.358 4
Hi High (pH 8-9.5) 0.24 2.92 -29.58 3 3 1 43 214.358 4
Lo Low (pH 4.5-6) 0.24 3.26 -109.13 4 3 2 45 215.366 4

Activity (Go SEA)

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