UCSF

ZINC32227049

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 20 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) 2.82 4.67 -48.98 4 3 1 57 313.204 5
Hi High (pH 8-9.5) 2.82 4.08 -6.99 3 3 0 55 312.196 5

Activity (Go SEA)

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