UCSF

ZINC32554250

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.91 6.85 -59.99 0 8 -1 101 398.391 8
Lo Low (pH 4.5-6) 1.91 5.89 -18.26 1 8 0 98 399.399 8

Activity (Go SEA)

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