UCSF

ZINC00301578

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 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) 3.31 8.12 -8.33 1 3 0 30 251.333 3
Mid Mid (pH 6-8) 3.31 8.54 -28.86 2 3 1 31 252.341 3

Activity (Go SEA)

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