UCSF

ZINC01836632

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 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) 4.14 8.58 -13.01 2 6 0 116 388.471 5
Lo Low (pH 4.5-6) 4.14 8.42 -53.51 3 6 1 117 389.479 5

Activity (Go SEA)

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