UCSF

ZINC06238890

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 27 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) 2.80 8.38 -58.16 0 5 -1 70 368.384 7
Mid Mid (pH 6-8) 3.24 1.23 -19.25 1 5 0 66 369.392 6

Activity (Go SEA)

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