UCSF

ZINC12324709

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 27 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) 1.94 -3.13 -13.26 2 6 0 78 362.433 4
Lo Low (pH 4.5-6) 1.94 -3.08 -39.86 3 6 1 79 363.441 4

Activity (Go SEA)

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