UCSF

ZINC00496683

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 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) 3.36 7.11 -8.07 1 2 0 29 217.312 2
Hi High (pH 8-9.5) 3.42 4.52 -4.12 1 2 0 33 217.312 2

Activity (Go SEA)

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