UCSF

ZINC00141131

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 3.03 -3.75 -14.2 1 6 0 77 344.392 5
Hi High (pH 8-9.5) 3.03 -3.17 -44.74 0 6 -1 79 343.384 5

Activity (Go SEA)

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