UCSF

ZINC36300652

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 20 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) 1.89 5.01 -39.33 3 5 1 58 318.228 4
Hi High (pH 8-9.5) 1.89 4.13 -46.38 3 5 1 62 318.228 4
Mid Mid (pH 6-8) 1.89 6.36 -109.75 4 5 2 63 319.236 4

Activity (Go SEA)

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