UCSF

ZINC15011701

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 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) 4.52 6.43 -33.74 1 7 -1 114 340.34 3
Hi High (pH 8-9.5) 4.97 5.16 -96.28 0 7 -2 117 339.332 3
Mid Mid (pH 6-8) 4.52 5.66 -17.31 2 7 0 111 341.348 3

Activity (Go SEA)

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