UCSF

ZINC44608780

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 1.36 3.21 -43.89 3 3 1 44 242.412 7
Hi High (pH 8-9.5) 1.36 5.41 -29.38 3 3 1 43 242.412 7
Lo Low (pH 4.5-6) 1.36 5.38 -117.66 4 3 2 45 243.42 7

Activity (Go SEA)

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