UCSF

ZINC09707401

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 32 Yes

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) 4.55 -3.03 -15.73 1 6 0 81 441.512 4
Hi High (pH 8-9.5) 4.55 -2.45 -50.3 0 6 -1 83 440.504 4

Activity (Go SEA)

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