UCSF

ZINC32694974

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 32 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) 3.68 8.68 -65.01 2 7 1 82 431.516 7
Hi High (pH 8-9.5) 3.68 6.57 -15.62 1 7 0 80 430.508 7

Activity (Go SEA)

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