UCSF

ZINC41689532

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 13 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) -0.11 5.57 -33.04 2 3 0 57 199.275 4
Hi High (pH 8-9.5) -0.11 4.42 -46.54 1 3 -1 52 198.267 4

Activity (Go SEA)

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