UCSF

ZINC10112707

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 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) 1.76 4.55 -46.02 0 7 -1 81 388.469 5
Lo Low (pH 4.5-6) 1.76 4.51 -15.93 1 7 0 79 389.477 5

Activity (Go SEA)

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