UCSF

ZINC03196390

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) 5.99 11.21 -54.33 4 3 1 53 383.515 5
Hi High (pH 8-9.5) 5.99 9.93 -8.24 3 3 0 48 382.507 5

Activity (Go SEA)

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