UCSF

ZINC36191411

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 1.83 5.31 -127.81 4 3 2 35 283.847 4
Hi High (pH 8-9.5) 1.83 5.58 -101.01 4 3 2 35 283.847 4
Mid Mid (pH 6-8) 1.83 3.16 -49.1 3 3 1 34 282.839 4

Activity (Go SEA)

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