UCSF

ZINC06382517

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 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) 3.19 9.23 -66.08 0 5 -1 70 364.421 6
Mid Mid (pH 6-8) 3.19 0.95 -9.2 1 5 0 66 365.429 6
Mid Mid (pH 6-8) 2.60 0.87 -16.12 0 5 0 63 365.429 6

Activity (Go SEA)

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