UCSF

ZINC25449543

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 31 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) 4.35 7.98 -53.28 1 7 -1 103 453.5 6
Hi High (pH 8-9.5) 4.41 7.08 -97.08 0 7 -2 109 452.492 6
Mid Mid (pH 6-8) 4.35 7.92 -24.23 2 7 0 101 454.508 6

Activity (Go SEA)

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