UCSF

ZINC24749698

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 23 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) 3.20 2.24 -39.95 1 6 -1 94 394.281 5
Hi High (pH 8-9.5) 3.20 2.5 -89.04 0 6 -2 96 393.273 5
Mid Mid (pH 6-8) 3.20 2.35 -15.97 2 6 0 92 395.289 5

Activity (Go SEA)

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