UCSF

ZINC06795421

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 27 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) 4.56 13.58 -43.86 2 4 0 62 382.529 8
Mid Mid (pH 6-8) 4.56 12.21 -51.8 1 4 -1 57 381.521 8

Activity (Go SEA)

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