UCSF

ZINC12649961

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 26 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) 1.06 4.64 -17.56 1 7 0 87 373.434 4
Hi High (pH 8-9.5) 1.06 4.71 -42.38 0 7 -1 89 372.426 4

Activity (Go SEA)

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