UCSF

ZINC65605603

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2011 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) 0.35 3.66 -43.53 1 5 1 37 228.316 4
Hi High (pH 8-9.5) 0.35 1.38 -11.19 0 5 0 36 227.308 4

Activity (Go SEA)

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