UCSF

ZINC01789509

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 29 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) 3.19 7.6 -16.84 3 8 0 111 414.828 5
Lo Low (pH 4.5-6) 3.19 7.99 -36.42 4 8 1 113 415.836 5

Activity (Go SEA)

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