UCSF

ZINC08664478

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2007 23 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) 4.18 9.17 -10.04 1 4 0 47 327.384 5
Lo Low (pH 4.5-6) 4.18 9.51 -32.87 2 4 1 48 328.392 5

Activity (Go SEA)

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