UCSF

ZINC50989429

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2010 22 Yes

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) 5.13 10.36 -33.89 2 3 1 34 362.708 6
Hi High (pH 8-9.5) 4.95 9.52 -23.34 1 3 0 40 361.7 6

Activity (Go SEA)

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