UCSF

ZINC13371213

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 21 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) -1.38 -1.11 -48.95 4 7 1 94 306.379 16
Hi High (pH 8-9.5) -1.38 -2.52 -13.37 3 7 0 89 305.371 16

Activity (Go SEA)

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