UCSF

ZINC25180085

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 32 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) 3.34 7.84 -72.28 3 6 0 97 436.552 9
Hi High (pH 8-9.5) 3.34 6.36 -62.87 2 6 -1 93 435.544 9

Activity (Go SEA)

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