UCSF

ZINC32362573

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2009 30 No

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) 4.13 7.4 -18.72 2 6 0 85 422.506 8
Hi High (pH 8-9.5) 4.13 7.47 -42.59 1 6 -1 87 421.498 8

Activity (Go SEA)

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