UCSF

ZINC32109186

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) 1.51 3.72 -48.93 3 4 1 57 257.398 5
Hi High (pH 8-9.5) 1.51 2.21 -9.53 2 4 0 53 256.39 5

Activity (Go SEA)

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