UCSF

ZINC32687241

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 30 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) 2.79 8.99 -18.49 1 8 0 95 438.538 7
Hi High (pH 8-9.5) 2.98 7.93 -46.53 0 8 -1 101 437.53 7

Activity (Go SEA)

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