UCSF

ZINC28103277

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 34 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) 3.60 12.44 -11.93 0 7 0 76 505.398 6
Lo Low (pH 4.5-6) 3.60 13.9 -46.84 1 7 1 77 506.406 6

Activity (Go SEA)

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