UCSF

ZINC06795657

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 30 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) 4.87 14.19 -38.28 2 5 0 75 402.494 7
Hi High (pH 8-9.5) 4.87 12.81 -53.57 1 5 -1 70 401.486 7

Activity (Go SEA)

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