UCSF

ZINC04974158

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 24 No

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) 5.09 8.35 -40.56 1 4 -1 60 397.277 3
Ref Reference (pH 7) 5.58 8.88 -8.95 2 4 0 61 398.285 2
Hi High (pH 8-9.5) 6.03 7.16 -46.06 1 4 -1 64 397.277 2

Activity (Go SEA)

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