UCSF

ZINC32153027

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 0.71 7.03 -66.59 1 6 0 74 292.335 6
Hi High (pH 8-9.5) 0.71 4.42 -45.29 0 6 -1 73 291.327 6
Lo Low (pH 4.5-6) 0.71 5.9 -46.06 2 6 1 71 293.343 6

Activity (Go SEA)

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