UCSF

ZINC05860036

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 23 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) 2.30 4.68 -18.21 2 7 0 89 336.417 7
Hi High (pH 8-9.5) 2.30 4.53 -45.05 1 7 -1 87 335.409 7

Activity (Go SEA)

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