UCSF

ZINC32226224

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 3.94 10.34 -51.1 2 3 1 35 312.433 7
Hi High (pH 8-9.5) 3.94 8.93 -7.06 1 3 0 30 311.425 7

Activity (Go SEA)

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