UCSF

ZINC25392929

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 29 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) 3.04 7.5 -18.42 1 7 0 103 430.486 6
Hi High (pH 8-9.5) 2.86 6.44 -36.74 0 7 -1 109 429.478 6

Activity (Go SEA)

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