UCSF

ZINC32107753

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 16 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) 4.10 6.95 -5.53 2 2 0 39 252.77 2
Mid Mid (pH 6-8) 3.60 7.3 -4.13 2 2 0 40 252.77 2
Lo Low (pH 4.5-6) 4.10 7.41 -28.75 3 2 1 40 253.778 2

Activity (Go SEA)

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