UCSF

ZINC04430796

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 17 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) 1.71 8.46 -13.72 0 3 0 47 225.247 4
Mid Mid (pH 6-8) 2.90 7.43 -58.24 0 3 -1 53 224.239 3
Mid Mid (pH 6-8) 2.90 7.41 -58.72 0 3 -1 53 224.239 3

Activity (Go SEA)

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