UCSF

ZINC18097294

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 3.23 11.84 -74.64 1 5 0 65 378.472 6
Hi High (pH 8-9.5) 3.23 9.3 -61.44 0 5 -1 64 377.464 6
Mid Mid (pH 6-8) 2.65 12.04 -57.8 1 5 1 59 379.48 6
Lo Low (pH 4.5-6) 3.23 10.87 -49.11 2 5 1 62 379.48 6

Activity (Go SEA)

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