UCSF

ZINC36889864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 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) 3.70 6.97 -10.34 0 3 0 53 252.293 4
Mid Mid (pH 6-8) 2.50 9.82 -17.72 0 3 0 47 253.301 5

Activity (Go SEA)

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