UCSF

ZINC15317927

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2008 28 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) 3.56 11.78 -54.02 2 7 1 92 395.464 5
Hi High (pH 8-9.5) 3.63 8.44 -39.43 0 7 -1 97 393.448 5
Mid Mid (pH 6-8) 3.63 10.84 -51.99 1 7 0 99 394.456 5
Mid Mid (pH 6-8) 3.56 9.35 -17.61 1 7 0 91 394.456 5

Activity (Go SEA)

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