UCSF

ZINC22134198

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 27 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) 1.93 6.38 -40 2 6 1 59 369.489 8
Hi High (pH 8-9.5) 1.93 4.13 -15.32 1 6 0 58 368.481 8
Lo Low (pH 4.5-6) 1.93 6.74 -94.21 3 6 2 60 370.497 8

Activity (Go SEA)

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