UCSF

ZINC54527606

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 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) 0.58 6.45 -42.29 2 5 0 79 243.266 4
Hi High (pH 8-9.5) 0.58 6.13 -47.65 1 5 -1 78 242.258 4
Lo Low (pH 4.5-6) 0.58 6.91 -69.18 3 5 1 80 244.274 4

Activity (Go SEA)

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