UCSF

ZINC05869463

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 26 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) 5.13 10.33 -38.93 0 4 -1 53 367.494 8
Lo Low (pH 4.5-6) 5.13 10.86 -12.1 1 4 0 51 368.502 8

Activity (Go SEA)

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