UCSF

ZINC25519465

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 31 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) 3.17 9.14 -24.73 2 7 0 89 420.513 5
Lo Low (pH 4.5-6) 3.17 9.6 -49.84 3 7 1 90 421.521 5

Activity (Go SEA)

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