UCSF

ZINC20890129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 35 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) 3.72 9.95 -47.86 1 8 0 97 490.633 6
Mid Mid (pH 6-8) 4.18 9.53 -54.99 0 8 -1 100 489.625 6
Lo Low (pH 4.5-6) 3.72 11.75 -23.29 1 8 0 97 490.633 6

Activity (Go SEA)

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