UCSF

ZINC17730072

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 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) 3.16 11.37 -70.92 1 5 0 65 378.472 8
Hi High (pH 8-9.5) 3.16 9.17 -59.14 0 5 -1 64 377.464 8
Mid Mid (pH 6-8) 3.61 10.25 -54.93 2 5 1 62 379.48 7
Mid Mid (pH 6-8) 2.58 11.23 -58.94 1 5 1 59 379.48 8

Activity (Go SEA)

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