UCSF

ZINC06403337

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 19 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) 2.82 3.21 -15.04 2 5 0 80 258.229 1
Hi High (pH 8-9.5) 2.82 4.19 -61.12 1 5 -1 83 257.221 1

Activity (Go SEA)

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