UCSF

ZINC03330053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 29 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) 6.93 -0.9 -9.27 1 4 0 55 409.551 7
Hi High (pH 8-9.5) 6.93 -0.32 -42.07 0 4 -1 57 408.543 7

Activity (Go SEA)

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