UCSF

ZINC29824775

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2009 19 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) 1.83 6.45 -57.09 1 4 1 54 256.329 3
Hi High (pH 8-9.5) 1.83 4.17 -12.05 0 4 0 53 255.321 3

Activity (Go SEA)

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