UCSF

ZINC06707041

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 26 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) 5.06 9.46 -51.14 0 4 -1 61 379.486 4
Mid Mid (pH 6-8) 5.99 9.69 -15.13 1 4 0 62 380.494 3

Activity (Go SEA)

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