UCSF

ZINC32229085

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) 1.91 8.18 -53.8 0 5 -1 70 312.345 7
Lo Low (pH 4.5-6) 1.91 7.06 -14.21 1 5 0 67 313.353 7

Activity (Go SEA)

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