UCSF

ZINC32115439

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 1.68 4.04 -39.99 3 4 1 55 268.377 9
Hi High (pH 8-9.5) 1.68 2.45 -5.98 2 4 0 51 267.369 9

Activity (Go SEA)

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