UCSF

ZINC37258793

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 14 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) 1.35 2.23 -9.08 2 3 0 41 214.334 3
Mid Mid (pH 6-8) 1.35 3.42 -39.52 3 3 1 46 215.342 3

Activity (Go SEA)

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