UCSF

ZINC12970957

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 27 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) 1.90 9.97 -46.12 1 6 1 68 364.425 5
Lo Low (pH 4.5-6) 1.90 10.25 -93.27 2 6 2 69 365.433 5

Activity (Go SEA)

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