UCSF

ZINC36805349

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 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) 2.20 4.55 -5.73 0 3 0 25 274.817 4
Mid Mid (pH 6-8) 2.20 6.48 -40.4 1 3 1 27 275.825 4

Activity (Go SEA)

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