UCSF

ZINC17378418

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2008 18 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) 3.51 6.87 -8.64 0 3 0 31 241.29 4
Lo Low (pH 4.5-6) 3.51 6.08 -28.73 1 3 1 32 242.298 4
Lo Low (pH 4.5-6) 3.51 7.05 -27.95 1 3 1 32 242.298 4

Activity (Go SEA)

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