UCSF

ZINC06744980

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 29 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) 2.87 4.56 -13.45 3 7 0 99 393.443 7
Mid Mid (pH 6-8) 2.87 5.32 -54.4 2 7 -1 102 392.435 7

Activity (Go SEA)

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