UCSF

ZINC00736822

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 38 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.60 13.34 -16.62 2 6 0 74 504.634 8
Lo Low (pH 4.5-6) 4.60 13.78 -53.86 3 6 1 76 505.642 8

Activity (Go SEA)

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