UCSF

ZINC06904206

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 25 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) 3.78 4.49 -15.29 3 6 0 83 382.247 6
Mid Mid (pH 6-8) 3.78 5.26 -54.25 2 6 -1 86 381.239 6
Mid Mid (pH 6-8) 3.78 4.91 -38.23 2 6 -1 86 381.239 6

Activity (Go SEA)

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