UCSF

ZINC15834520

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 22 Yes

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) 3.53 9.88 -11.62 0 3 0 54 312.369 4
Lo Low (pH 4.5-6) 3.53 10.08 -47.21 1 3 1 55 313.377 4

Activity (Go SEA)

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