UCSF

ZINC25761265

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 29 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) 1.63 6.43 -24.09 2 10 0 140 393.359 4
Mid Mid (pH 6-8) 2.09 4.68 -43.32 1 10 -1 144 392.351 4

Activity (Go SEA)

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