UCSF

ZINC15935461

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 26 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) 2.54 6.99 -25.74 2 7 0 87 377.445 4
Hi High (pH 8-9.5) 2.72 5.3 -59.43 1 7 -1 94 376.437 4

Activity (Go SEA)

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