UCSF

ZINC32107758

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 17 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) 2.92 6.21 -38.08 2 2 1 20 253.797 4
Lo Low (pH 4.5-6) 2.92 8.2 -111.94 3 2 2 21 254.805 4
Lo Low (pH 4.5-6) 2.92 6.8 -31.11 2 2 1 16 253.797 4

Activity (Go SEA)

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