UCSF

ZINC34616641

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 33 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) 4.78 4.46 -42.73 2 9 0 111 467.503 6
Hi High (pH 8-9.5) 4.78 4 -49.93 1 9 -1 110 466.495 6
Mid Mid (pH 6-8) 4.78 4.4 -32.2 3 9 1 109 468.511 6

Activity (Go SEA)

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