UCSF

ZINC32232794

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 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) 1.18 4.69 -75.22 2 6 0 91 314.407 8
Hi High (pH 8-9.5) 1.18 2.16 -54.58 1 6 -1 90 313.399 8

Activity (Go SEA)

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