UCSF

ZINC21789921

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 27 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) 1.91 2.03 -17.13 1 8 0 99 384.417 5
Lo Low (pH 4.5-6) 1.91 2.49 -53.56 2 8 1 101 385.425 5

Activity (Go SEA)

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