UCSF

ZINC27474587

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 18 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) 2.65 7.04 -42.17 2 3 1 34 265.402 4
Hi High (pH 8-9.5) 2.65 4.89 -10.21 1 3 0 32 264.394 4

Activity (Go SEA)

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