UCSF

ZINC15958247

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 30 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) 2.24 5.65 -57.11 1 8 -1 111 429.522 5
Lo Low (pH 4.5-6) 2.24 6.08 -41.88 2 8 0 112 430.53 5

Activity (Go SEA)

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