UCSF

ZINC24830619

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 32 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) 3.13 9.43 -11.96 0 7 0 63 435.572 6
Mid Mid (pH 6-8) 3.13 11.7 -59.18 1 7 1 65 436.58 6

Activity (Go SEA)

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