UCSF

ZINC13915240

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 29 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) 6.54 12.8 -58.15 1 6 -1 98 468.308 4
Mid Mid (pH 6-8) 6.05 11.44 -112.05 0 6 -2 97 467.3 5

Activity (Go SEA)

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