UCSF

ZINC32205215

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 17 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) 2.58 8.99 -50.62 0 3 -1 57 251.327 5
Lo Low (pH 4.5-6) 2.58 7.02 -12.35 1 3 0 54 252.335 5

Activity (Go SEA)

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