UCSF

ZINC32538160

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 1.48 2.14 -48.86 4 6 1 94 314.431 8
Hi High (pH 8-9.5) 1.48 -0.16 -16.88 3 6 0 93 313.423 8

Activity (Go SEA)

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