UCSF

ZINC40058600

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 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) 4.69 9.26 -11.85 1 7 0 93 513.369 3
Hi High (pH 8-9.5) 4.69 10.17 -53.38 0 7 -1 96 512.361 3

Activity (Go SEA)

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