UCSF

ZINC39752611

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 35 No

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) 4.18 11.31 -28.83 2 12 0 176 490.457 7
Hi High (pH 8-9.5) 4.24 8.43 -66.11 1 12 -1 182 489.449 7

Activity (Go SEA)

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