UCSF

ZINC28971873

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 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) 3.24 1.97 -14.66 3 5 0 79 286.283 2
Hi High (pH 8-9.5) 3.24 2.98 -49.58 2 5 -1 82 285.275 2

Activity (Go SEA)

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