UCSF

ZINC01841180

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 23 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) 3.88 6.99 -7.42 4 4 0 71 314.429 10
Lo Low (pH 4.5-6) 3.88 6.85 -47.56 5 4 1 72 315.437 10

Activity (Go SEA)

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