UCSF

ZINC03229798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 31 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) 3.20 -4.53 -18.27 2 8 0 110 458.565 8
Hi High (pH 8-9.5) 3.20 -3.95 -43.95 1 8 -1 112 457.557 8

Activity (Go SEA)

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