UCSF

ZINC35860380

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 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) 4.27 12 -17.37 0 7 0 62 525.665 9
Mid Mid (pH 6-8) 4.27 14.29 -51.31 1 7 1 64 526.673 9

Activity (Go SEA)

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