UCSF

ZINC34963634

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 No

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) 1.24 3.97 -48.86 3 2 1 31 243.421 3
Hi High (pH 8-9.5) 1.24 3.24 -3.27 2 2 0 29 242.413 3

Activity (Go SEA)

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