UCSF

ZINC53127153

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 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) 0.91 -0.04 -8.31 3 4 0 61 244.36 3
Mid Mid (pH 6-8) 0.91 1.17 -38.83 4 4 1 66 245.368 3

Activity (Go SEA)

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