UCSF

ZINC44722815

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 13 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) -0.66 0.31 -36.86 4 4 1 60 184.263 4
Hi High (pH 8-9.5) -0.66 -2.08 -7.49 3 4 0 58 183.255 4
Lo Low (pH 4.5-6) -0.66 1.51 -108.46 5 4 2 64 185.271 4

Activity (Go SEA)

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